I'm applying to PhD programs and have been curious about RL for finance and was wondering what professors work in this field. I don't know much about financial trading and I was also curious if ML sub-fields such as RL have shown great utility in increasing profits? submitted by /u/DolantheMFWizard [link] [comments]  ( 118 min )

Hi, I was wondering if anyone could provide sources addressing the above problem. I can already find sources that deal with subsets of the problem i.e. just imperfect information, just a stochastic world model, just simultaneous games etc. I was wondering if anyone knew of any approaches that attempt to tackle all 3, or even had pseudocode/GitHub repos of dealing with this. Thanks in advance! submitted by /u/atomicburn125 [link] [comments]  ( 119 min )

I am an undergraduate CS student working on starting a project with a professor at my school that involves RL for water treatment. I would really appreciate some guidance on what kind of RL might be best as a starting point for this type of project. Ultimately the RL systems will control a virtual water treatment environment which will include various devices to monitor different properties of the environment and then devices to change those properties in order to control the condition of the final output water. For example, a device to monitor the level of a certain chemical in the water, devices to pump different chemicals, devices to monitor the output water's final chemical composition, devices to check the temperature and flow rate of the water through various pieces of equipment, etc. All of these different monitoring and control mechanisms would need to be able to work together to produce the optimal output water condition. My initial thought was that I could use SAC for the RL agents and a centralised multi-agent architecture so that the agents would have the ability to share parameters. But I am not sure if this would make sense. The way I'm thinking about it would mean that the agents would be the various devices that are controlling and monitoring the system. Is this the wrong way to look at this problem? Should I instead be thinking of this system as one agent who's state consists of of the various chemical pump outputs, chemical measurements, flow rates, final output water composition, etc.? If this centralised multi-agent SAC system is the wrong approach do you have any suggestions for what might be a better alternative? Thanks in advance! submitted by /u/lifelifebalance [link] [comments]  ( 119 min )

Title is self descriptive. I thought that on 20th. October openreview would make public the reviews of the accepted papers, and of the rejected papers who opted-in . Is there any other date for that? submitted by /u/No-Spirit-7840 [link] [comments]  ( 121 min )

Despite the negativity surrounding social media lately, it’s still an incredibly powerful tool that can be used for good, and any social media strategy should consider this technology's intrinsic benefits. Here are 15 reasons to keep using social media: The post 15 Reasons to Keep Using Social Media appeared first on Data Science Central.  ( 20 min )

This post will look at India’s first interplanetary mission, Mars Orbiter Mission, to illustrate points in recent posts. As suggested by the logo, the probe had a very eccentric orbit of Mars with periareion 421.7 km and apoareion 76,993.6 km. We can derive everything else from these numbers. Peri-what?! As mentioned in footnote 2 of […] Elliptical orbit example: Mars Orbiter Mission first appeared on John D. Cook.  ( 5 min )

Military Standard 105 (MIL-STD-105) is the grand daddy of sampling acceptance standards. The standard grew out of work done at Bell Labs in the 1930s and was first published during WWII. There were five updates to the standard, the last edition being MIL-STD-105E, published in 1989. In 1995 the standard was officially cancelled when the […] Military Standard 105 first appeared on John D. Cook.  ( 5 min )

Orbital mechanics has a lot of arcane terminology because it has been studied for centuries. V. I. Arnold said that orbital mechanics was one of the three main sources of modern mathematics. Mean anomaly, true anomaly, and eccentric anomaly are three ways of describing where an object is in its orbit. All would be the […] Mean anomaly, true anomaly, and eccentric anomaly first appeared on John D. Cook.  ( 7 min )

I'm creating an ML audio diagnosis and was unsure if I should invest in an analog to digital converter, it if the program can turn the analog signals directly into a spectogram submitted by /u/SSC_08 [link] [comments]  ( 119 min )

I'm particularly interested in the following question: are there any models of hebbian networks where several weights between two nodes exist? (and which one is to be updated might be resolved by chance/ depend on some predefined rules?) It occurred to me that it could be interesting to derive some properties of Hopfield networks where weights are represented not in matrix form but as a tensor so that every pair of nodes has several weights between them. I looked for these models in scholar and in google but didn't find anything resembling this idea. I believe that's not a consequence of my outstanding intellect that I'm the first human, who has thought of it, but just pure dumb search algorithms which don't show anything related to the topic, as it's not something i usually search for. I've already posted this question in compmathneuroscience reddit and I was sent here as a more appropriate place to ask it. initial question: https://www.reddit.com/r/compmathneuro/comments/ya6rgy/hebbian_network/ (caveat - in the title there is a mistake, it's Hopfield , not Hebbian) submitted by /u/Reasonable_Tie_5607 [link] [comments]  ( 122 min )

Happy to announce CORL — a library that provides high-quality single-file implementations of Deep Offline Reinforcement Learning algorithms and uses Weights and Biases to track experiments. SOTA algorithms (Decision Transformer, AWAC, BC, CQL, IQL, TD3+BC, SAC-N, EDAC) Benchmarked on widely used D4RL datasets (results match performances reported in the original papers, sometimes even with better results) Configs with hyperparameters for better reproduction Weights&Biases logs for all of the experiments (so that you don’t have to solely rely on final performances from papers) github: https://github.com/tinkoff-ai/CORL paper: https://arxiv.org/abs/2210.07105 (accepted at NeurIPS, 3rd Offline RL Workshop) submitted by /u/vkurenkov [link] [comments]  ( 122 min )

Some early statistics about this year's NeurIPS conference. https://github.com/sanagno/neurips_2022_statistics submitted by /u/asotos11 [link] [comments]  ( 121 min )

In many disciplines, practice is usually deviates away from the theory. Is that the same in ML? If so, what are they? submitted by /u/4bedoe [link] [comments]  ( 121 min )

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Like RETRO or something similar. Does anyone know if any retrieval based language model is available to download? submitted by /u/invertedpassion [link] [comments]  ( 121 min )

txtai executes machine-learning workflows to transform data and build AI-powered semantic search applications. A full-fledged vector search application can be created with a couple lines of code. There are also almost 40 example notebooks covering many different use cases. 5.1 adds new model support for the translation pipeline, OpenAI Whisper support in the transcription pipeline and ARM Docker images. Topic modeling was also updated with improvements, including how to use BM25/TF-IDF indexes to drive topic models. GitHub | Release Notes | Docker Hub | Examples submitted by /u/davidmezzetti [link] [comments]  ( 123 min )

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Hello, I am a school teacher and we are talking a bit about AI now. I have told them about the concept of fake people being generated by AI and creation of non-existent people. I was wondering if there was any online apps (free) that one could feed images to that will aid in the detection of whether the people are real or the image is generated by a GAN? Thanks for your help! submitted by /u/Leprechan_Sushi [link] [comments]  ( 114 min )

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I am confused about the concepts of anchor boxes. An object detection model tries to estimate the location of the detected object in the frame. With anchor boxes, this is done at different aspect ratios and scale. My confusion lies in the fact that these are regression problems. So if we set up anchor box coordinates initially, and the model predicts 4 points for each anchor box (x,y,height,width), how is the aspect ratio of the anchor box maintained? Wouldn't the coordinate values in the output layer change with training? How then would the aspect ratio be maintained? ​ Edit: grammar submitted by /u/Conscious_Forever_92 [link] [comments]  ( 107 min )

I would like to learn about reinforcement leanring in the context of robotics. I already have a good background in robotics modelling, kinematics, ROS, Webots, and deep learning for computer vision. Any material (video, tutorial, books, library) to advise given my background ? What do you think about IsaacSim tutorial from Nvidia ? This environment seems promising to me. submitted by /u/Remet0n [link] [comments]  ( 123 min )

I am looking for a RL Agent Library like stable baseline3 or keras-rl2 to process a graph defined by the gym library. Gym offers the possibility to define a graph space (space.graph) as action_space or observation_space. Sadly I cannot find a library that uses it for agent training. Did someone came across the same problem? submitted by /u/un_defined2020 [link] [comments]  ( 117 min )

Using gradio. The code is quite simple: from transformers import pipeline import gradio as gr model = pipeline( "summarization") def predict(prompt): summary = model(prompt)[0]["summary_text"] return summary create an interface for the model with gr.Interface(predict, "textbox", "text") as interface: interface.launch() Thoughts? submitted by /u/alejandrobrega [link] [comments]  ( 122 min )

Paper: https://arxiv.org/abs/2210.11416 Github: https://github.com/google-research/t5x/blob/main/docs/models.md#flan-t5-checkpoints Abstract: Finetuning language models on a collection of datasets phrased as instructions has been shown to improve model performance and generalization to unseen tasks. In this paper we explore instruction finetuning with a particular focus on (1) scaling the number of tasks, (2) scaling the model size, and (3) finetuning on chain-of-thought data. We find that instruction finetuning with the above aspects dramatically improves performance on a variety of model classes (PaLM, T5, U-PaLM), prompting setups (zero-shot, few-shot, CoT), and evaluation benchmarks (MMLU, BBH, TyDiQA, MGSM, open-ended generation). For instance, Flan-PaLM 540B instruction-finetuned on 1.8K tasks outperforms PALM 540B by a large margin (+9.4% on average). Flan-PaLM 540B achieves state-of-the-art performance on several benchmarks, such as 75.2% on five-shot MMLU. We also publicly release Flan-T5 checkpoints, which achieve strong few-shot performance even compared to much larger models, such as PaLM 62B. Overall, instruction finetuning is a general method for improving the performance and usability of pretrained language models. https://preview.redd.it/xazwmswbb8v91.jpg?width=1593&format=pjpg&auto=webp&s=2eab22e36819a6ba6117c552b9620271ad8cc51c https://preview.redd.it/xeovsswbb8v91.jpg?width=1392&format=pjpg&auto=webp&s=58355bc00ba17a78551fa43e2453b66ffd8659e4 https://preview.redd.it/xvpmc1xbb8v91.jpg?width=1040&format=pjpg&auto=webp&s=2725e0d263d2183f14ad53f6a1006a3488ba9f1c https://preview.redd.it/ylqzw0xbb8v91.jpg?width=1145&format=pjpg&auto=webp&s=6a40ba4551821215dcf06d9ecdee9ac2b569995e https://preview.redd.it/nf3kerwbb8v91.jpg?width=1149&format=pjpg&auto=webp&s=f28750ca5db60c3df295988d77c59f3c00651b55 submitted by /u/Singularian2501 [link] [comments]  ( 123 min )

Hello, While doing some tests, I saw that XGBOOST is way better than a multilayer NN classifier for classifcation. So I thought that first training a CNN/Transformer as a backbone with a "normale" classifier as a head for any classfication/regression task then freezing the backbone and training an XGBOOST for classfication is a good Idea. But none of the new papers do that and they all tend to use a linear/multiplayer NN classifier. Anyone know why ? Thanks ! submitted by /u/MichelMED10 [link] [comments]  ( 124 min )

One-hot-encoding is a popular method for encoding categories due to its simplicity and interpretability. Interpretability also makes it compatible method for simple machine learning algorithms (such as polynomial regression, which, yes, I classify as AI). Nonetheless, there are alternatives, such as base-n encoding which I find an appealing idea. However, I am not sure what method of encoding neural networks prefer. What is your advice? Should you prefer one-hot encoding, base-n encoding (and which n should you choose), or some other method? submitted by /u/Thijs-vW [link] [comments]  ( 121 min )

My writing process is a constant back and forth between jotting down a few words and a [insert] placeholder, as in the "I'll-complete-that-sentence-later-once-I-remember-the-correct-word" note. So, I built phraisely. It is a reverse thesaurus: you input a detailed description, and the model returns its best guesses. Compared to the existing solutions for this task, phraisely attempts to better understand the full context in your query, making it more accurate when looking up words using long descriptions. For example, if I search for "being home at night watching Netflix on the couch", results can contain "relaxing" and "unwinding" but also "binge-watching" since I mentioned Netflix. Bonus points when I get some slang in the results (e.g. couch-potatoing). [see pic below] The aim is to have an assistant that writes with you. But it doesn't do it for you. Overall, I believe that writing is a frustrating process. Frustration stimulates creativity. And creativity is precious. It is the first functioning version of the app. I'm regularly reviewing the output's quality and am working on tailoring it better to user needs. Also, my long term plan would be introducing languages other than English in the results. Although, the language model can already understand some input text from other common languages, like Spanish. You can have a play around at: https://phraisely.com/. It's free. Comments and suggestions are welcome. Thank you. --- Example Example submitted by /u/phraisely [link] [comments]  ( 128 min )

Here is a podcast episode with Hattie Zhou where we discuss iterative learning, The Lottery Ticket Hypothesis, their paper on fortuitous forgetting, and much more! submitted by /u/thejashGI [link] [comments]  ( 122 min )

Hi, I was wondering what would be the must-read papers if one wants to get familiar with Curriculum learning literature? Thanks! submitted by /u/celviofos [link] [comments]  ( 127 min )

While reading a recent DeepMind paper on an economic game: https://www.deepmind.com/blog/human-centred-mechanism-design-with-democratic-ai https://www.nature.com/articles/s41562-022-01383-x.pdf I encountered this disclaimer: "Finally, we emphasize that our results do not imply support for a form of ‘AI government’, whereby autonomous agents make policy decisions without human intervention" It is obvious we want some human oversight. Still, optimizing our societal policies seems to me one of the most promising positive transformations the ML could bring about, much better than a new phone assistant. There are known promising approaches, for example, to reducing the poverty and inequality. Things like restructuring the social safety nets, labor laws, tax codes, etc. Perhaps ML could help with some of them: https://talkpoverty.org/2015/06/10/solutions-economic-inequality/ ML research centers want to make an impact in society. For example, Demis Hassabis of DeepMind said he had a list of 1,000 promising scientific problems he wanted to approach with ML, in hope of making a Nobel-grade discovery one day. Does any ML company, agency, conference, or forum pursue the policy-making applications specifically? When would you estimate we might see major changes in social policies caused by ML? I would bet this does not require AGI in the strong sense, so might be possible relatively soon, if there is political will, funding, and interest. And there should be, as the first country to embrace this accelerated optimization should see some major economic advantages. submitted by /u/valdanylchuk [link] [comments]  ( 125 min )

I have a classification task (e.g., MNIST digits classification). I want to evaluate its performance (inference) with the presence of noise on each layer's inputs and weights (due to hardware problems). Are there any methods applicable for my case ? Or should I just sample the noises and run multiple inferences ? Thanks for reading ! submitted by /u/mad_alim [link] [comments]  ( 121 min )

Hi, I'd like to share a human segmentation toolkit called PP-Humanseg. This toolkit has: A large-scale video portrait dataset that contains 291 videos from 23 conference scenes with 14K frames; A portrait segmentation model that achieves SOTA performance on mobile phone (mIoU 96.63%, 63 FPS); Several human segmentation models well-trained for real scene. Github: https://github.com/PaddlePaddle/PaddleSeg/tree/release/2.6/contrib/PP-HumanSeg ​ https://i.redd.it/dgesfn6jr4v91.gif submitted by /u/EldDap [link] [comments]  ( 123 min )

Hi folks, My paper was accepted as a poster in one of NeurIPS's workshops. Will the paper be available in the NeurIPS 2022 main proceedings? submitted by /u/Alternative-File-146 [link] [comments]  ( 121 min )

Are there any actually good blogs on machine learning that are actually accurate? It's amazing how the first google hits can be total trash. take this article for example: https://machinelearningmastery.com/roc-curves-and-precision-recall-curves-for-classification-in-python/ This is full of nonsense - "ROC curves are appropriate when the observations are balanced between each class, whereas precision-recall curves are appropriate for imbalanced datasets" Anyone who has actually worked with ML will know that the above statement is blatantly not true! it's amazing that such a blog manages to come up so often in google hits... Is there anything better out there? submitted by /u/likeamanyfacedgod [link] [comments]  ( 132 min )

Hi. I'm currently performing text classification on sequences of text that contain two languages: English and my own native language. I'm running experiments using mBERT and BERT for the sake of comparison, but noticed that BERT's performance is actually roughly the same as mBERT. This was a little counterintuitive to me because, with the data being more than English, I assumed that BERT wouldn't be able to properly "understand" the text. I've tried taking a look at how many of the tokenized results are [UNK] for each, and also noticed that of all the tokens in the dataset, mBERT produces [UNK] for around 46% and BERT 52%. It was also surprisingly high for mBERT, but I think that a 6% difference is large enough to not be able to justify equal performance. Does anybody know why this may be happening or in what direction I should investigate this? I'd like to figure out how or why the performance could be roughly equal. submitted by /u/Seankala [link] [comments]  ( 125 min )

Found this interesting paper modeling a discrimintive task using a diffusion model. I wonder if we can do the same for automatic speech recognition (ASR). https://arxiv.org/abs/2210.05148 submitted by /u/athrun200 [link] [comments]  ( 122 min )

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I just also want to know how someone can believe that this thing is real. There's literally 5 different youtube channels doing the same thing and wanted to know what the engine they're using is. ​ youtube video: He Mastered All Elements And Overpowered The Gods - YouTube submitted by /u/stive52 [link] [comments]  ( 115 min )

The Biden administration has launched a new workforce development funding program to help people, including those at community colleges, gain skills for emerging jobs in fields like AI, biotechnology, quantum science and new areas of advanced manufacturing and semiconductor. Forbes article talks about how the program could scale AI education at new education and training providers where its not currently common like community colleges. Talks about Intel's work to get AI at community colleges in all 50 states by next year https://www.forbes.com/sites/shalinjyotishi/2022/10/20/biden-administration-launches-new-workforce-program-for-emerging-technology-jobs submitted by /u/WorkforceWonk [link] [comments]  ( 116 min )

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I am working on emotion recognition through EEG signals. We have decided to use MUSE 2 EEG headband to collect EEG signals. I wanted to ask if I can use DEAP, DREAMER, or other datasets to train my model. Can MUSE 2 give the data which these datasets have? Most of the datasets on the internet have used 32-channel or 16-channel headsets while MUSE 2 is 4-channel. Also, Can anyone give my public-accessible dataset site links so I can download datasets from there? Is there someone experienced in this field who can help me?? It would be much appreciated. Thank You submitted by /u/D3Fuhrer [link] [comments]  ( 115 min )

Here is a podcast episode with Hattie Zhou where we discuss iterative learning, The Lottery Ticket Hypothesis, their paper on fortuitous forgetting, and much more! submitted by /u/thejashGI [link] [comments]  ( 115 min )

I'm looking for the best NLP Specialization. I have done the Deep Learning Specialization from Deep learning AI, and since I really got into NLP and sequence models I would like to do a follow-up course. I checked Natural Language Processing Specialization also from Deep learning AI, but it seems to have mixed reviews. Some say it is a good specialization, while others have a very strong opinion that it isn't. My question is has anyone done some NLP specialization and where? Do you have any recommendations? And in your opinion what is the best NLP specialization out there? Thanks in advance! submitted by /u/mr_house7 [link] [comments]  ( 115 min )

Whenever AI is discussed the main topics are unemployment, ethics, out of control AI. These are real concerns but let us assume for a moment that these problems are solvable. The big elephant in the room is the concern of human usefulness. What does it mean when the human race is longer useful? How do we deal with long term profession planning, for you or your kids? You invest a decade becoming an illustrator. Now AI can do it better. Your investment is now worth nothing. You may take this lightly because it has not affected you yet but this is a question beyond a certain profession. submitted by /u/brishtesi [link] [comments]  ( 117 min )

Hi, I'd like to introduce EISeg , an efficient and interactive tool for segmentation annotation. Hope this be some help for you 😀 Main Features: You only need several clicks to finish annotation, improving the efficiency by 10 times Support image and video as inputs Provide specialized models for better performance , such as portrait, remote sensing, medical treatment, etc Open-source, easy-to-use and powerful Download: https://github.com/PaddlePaddle/PaddleSeg/tree/release/2.6/EISeg Technical article: https://arxiv.org/abs/2210.08788 https://i.redd.it/1stngunj55v91.gif submitted by /u/Effective_Tax_2096 [link] [comments]  ( 119 min )

What if the cold war became nuclear? He smiles again, and then quickly draws his arms around himself. "It's worse than this," he says. "I mean, what if we couldn't control it at all?" But things have changed dramatically since 1984. The Soviet Union is now in a state of turmoil. Once again the cold war has begun, with Russia struggling to hold its grip on its nuclear arsenal. The Cold War never ended, but instead morphed into a nightmare. War is coming closer, more easily than ever before. Media in the West see the new nuclear arms race as a political issue, about how long the West can sustain an arms race that goes on indefinitely. But Russia sees it much differently: It sees a war that begins one day. It might not seem that bad. But on the day it begins, the Soviets say they'll have e…  ( 125 min )

Hey any recommendations for ML and AI. There are so many online, all different costs. I’m not sure if it better just because it’s more expensive. I don’t have many people around me so difficult to find some suggestions from someone I know. Any recommendations would be great. I studied architecture and I’m looking to learn more about ML and how this can develop the built environment! Thanks submitted by /u/CosmicKKKelly [link] [comments]  ( 118 min )

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Hello there, I hope you all are doing well. I am AI research Engineer who has been working in the AI industry for almost two years now. I am also a Teacher Assistant at the university I graduated from. I had lots of work in NLP and some in CV, but quite a few in RL. Therefore, I want to push myself and work in the research field, specifically in RL. I will attach my Resume here. So that if you are interested in having strong soul, hard working guys in your team, please let me know! submitted by /u/AI-Ahmed [link] [comments]  ( 116 min )

How to define an action space in a gym environment where the agent´s output is a tensor of shape [1,25]? submitted by /u/SathyaSudha_Murugan [link] [comments]  ( 119 min )

Hello everyone! I am a last year master's student in CS interested in RL, but without any practical/research experience in this field (only theoretical courses from my University). Since I would like to dive into this field (maybe to continue later with a PhD), I am searching for a Research Internship to understand if this field is really for me, in Universities research labs or companies (but the latter are more easily findable I guess). Are you aware of any University research lab that offers summer internships or internships in general (around period of Summer 2023)? I would like to underline that I might be graduated at that time, so without the status of "student". Thank you very much in advance for your time. ​ EDIT: add period of interest submitted by /u/Dear-Vehicle-3215 [link] [comments]  ( 119 min )

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Last night I was reading a paper by the late Russian mathematician V. I. Arnold “Polymathematics: is mathematics a single science or a set of arts?” and posted a lightly edited extract of it on Twitter. It begins All mathematics is divided into three parts: cryptography, hydrodynamics, and celestial mechanics. Arnold is alluding to the […] Cryptography, hydrodynamics, and celestial mechanics first appeared on John D. Cook.  ( 6 min )

Suppose you’ve typed a long command and you need to rerun it with a small modification. Say you need to replace foo with bar. Bash will let you do this with ^foo^bar^. And although you’re supposed to put the final caret on the end, it will let you get by without it. $ echo foo […] Repeat shell command replacing a word first appeared on John D. Cook.  ( 5 min )

So, I'm just now starting to learn how neural networks work, I'm following a series on YouTube on how to do one in Python. The tutorial compared the neuron's basic function of taking the input, multiplying it by the corresponding weight, and adding a bias to y = mx + b, the standard linear function formula. And that got me thinking... for more complex problems would you ever want to change the model to have a polynomial-based formula? Like input^exponent + input * weight + bias? Where exponent is another variable, alongside weight and bias, that would be dialed in during the learning process. Or would that complicate things too much and the linear formula would be better? submitted by /u/GABE_EDD [link] [comments]  ( 108 min )

Graph Neural Networks (GNNs) have been predominant for graph learning tasks; however, recent studies showed that a well-known graph algorithm, Label Propagation (LP), combined with a shallow neural network can achieve comparable performance to GNNs in semi-supervised node classification on graphs with high homophily. In this paper, we show that this approach falls short on graphs with low homophily, where nodes often connect to the nodes of the opposite classes. To overcome this, we carefully design a combination of a base predictor with LP algorithm that enjoys a closed-form solution as well as convergence guarantees. Our algorithm first learns the class compatibility matrix and then aggregates label predictions using LP algorithm weighted by class compatibilities. On a wide variety of benchmarks, we show that our approach achieves the leading performance on graphs with various levels of homophily. Meanwhile, it has orders of magnitude fewer parameters and requires less execution time. Empirical evaluations demonstrate that simple adaptations of LP can be competitive in semi-supervised node classification in both homophily and heterophily regimes.

While vision-language pre-training model (VLP) has shown revolutionary improvements on various vision-language (V+L) tasks, the studies regarding its adversarial robustness remain largely unexplored. This paper studied the adversarial attack on popular VLP models and V+L tasks. First, we analyzed the performance of adversarial attacks under different settings. By examining the influence of different perturbed objects and attack targets, we concluded some key observations as guidance on both designing strong multimodal adversarial attack and constructing robust VLP models. Second, we proposed a novel multimodal attack method on the VLP models called Collaborative Multimodal Adversarial Attack (Co-Attack), which collectively carries out the attacks on the image modality and the text modality. Experimental results demonstrated that the proposed method achieves improved attack performances on different V+L downstream tasks and VLP models. The analysis observations and novel attack method hopefully provide new understanding into the adversarial robustness of VLP models, so as to contribute their safe and reliable deployment in more real-world scenarios. Code is available at https://github.com/adversarial-for-goodness/Co-Attack.

Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle to balance between resisting the oversmoothing that may occur in deep models, and capturing long-range dependencies of graph structured data. Moreover, the complexity of this trade-off is compounded in the heterogeneous graph case due to the disparate heterophily relationships between nodes of different types. To address these issues, we propose a novel heterogeneous GNN architecture in which layers are derived from optimization steps that descend a novel relation-aware energy function. The corresponding minimizer is fully differentiable with respect to the energy function parameters, such that bilevel optimization can be applied to effectively learn a functional form whose minimum provides optimal node representations for subsequent classification tasks. In particular, this methodology allows us to model diverse heterophily relationships between different node types while avoiding oversmoothing effects. Experimental results on 8 heterogeneous graph benchmarks demonstrates that our proposed method can achieve competitive node classification accuracy

In this paper, we aim to design a quantitative similarity function between two neural architectures. Specifically, we define a model similarity using input gradient transferability. We generate adversarial samples of two networks and measure the average accuracy of the networks on adversarial samples of each other. If two networks are highly correlated, then the attack transferability will be high, resulting in high similarity. Using the similarity score, we investigate two topics: (1) Which network component contributes to the model diversity? (2) How does model diversity affect practical scenarios? We answer the first question by providing feature importance analysis and clustering analysis. The second question is validated by two different scenarios: model ensemble and knowledge distillation. Our findings show that model diversity takes a key role when interacting with different neural architectures. For example, we found that more diversity leads to better ensemble performance. We also observe that the relationship between teacher and student networks and distillation performance depends on the choice of the base architecture of the teacher and student networks. We expect our analysis tool helps a high-level understanding of differences between various neural architectures as well as practical guidance when using multiple architectures.

We give an efficient algorithm that recovers the distribution of a non-interacting fermion state over the standard basis, given measurements in additional bases. For a system of $n$ non-interacting fermions and $m$ modes, we show that $O(m^2 n^2 \log(1/\delta) / \epsilon^2)$ copies of the input state and $O(m^3 n^2 \log(1/\delta)/ \epsilon^2)$ time are sufficient to learn the original distribution to total variation distance $\epsilon$ with probability at least $1 - \delta$. Our algorithm empirically estimates one-mode correlations in $O(m)$ different measurement bases and uses them to reconstruct a succinct description of the entire distribution efficiently.

We study the generalization abilities of language models when translating natural language into formal specifications with complex semantics. In particular, we fine-tune language models on three datasets consisting of English sentences and their corresponding formal representation: 1) regular expressions (regex), frequently used in programming and search; 2) First-order logic (FOL), commonly used in software verification and theorem proving; and 3) linear-time temporal logic (LTL), which forms the basis for industrial hardware specification languages. Our experiments show that, in these diverse domains, the language models maintain their generalization capabilities from pre-trained knowledge of natural language to generalize, e.g., to new variable names or operator descriptions. Additionally, they achieve competitive performance, and even outperform the state-of-the-art for translating into regular expressions, with the benefits of being easy to access, efficient to fine-tune, and without a particular need for domain-specific reasoning.

We present Theseus, an efficient application-agnostic open source library for differentiable nonlinear least squares (DNLS) optimization built on PyTorch, providing a common framework for end-to-end structured learning in robotics and vision. Existing DNLS implementations are application specific and do not always incorporate many ingredients important for efficiency. Theseus is application-agnostic, as we illustrate with several example applications that are built using the same underlying differentiable components, such as second-order optimizers, standard costs functions, and Lie groups. For efficiency, Theseus incorporates support for sparse solvers, automatic vectorization, batching, GPU acceleration, and gradient computation with implicit differentiation and direct loss minimization. We do extensive performance evaluation in a set of applications, demonstrating significant efficiency gains and better scalability when these features are incorporated. Project page: https://sites.google.com/view/theseus-ai

Molecular photoswitches are the foundation of light-activated drugs. A key photoswitch is azobenzene, which exhibits trans-cis isomerism in response to light. The thermal half-life of the cis isomer is of crucial importance, since it controls the duration of the light-induced biological effect. Here we introduce a computational tool for predicting the thermal half-lives of azobenzene derivatives. Our automated approach uses a fast and accurate machine learning potential trained on quantum chemistry data. Building on well-established earlier evidence, we argue that thermal isomerization proceeds through rotation mediated by intersystem crossing, and incorporate this mechanism into our automated workflow. We use our approach to predict the thermal half-lives of 19,000 azobenzene derivatives. We explore trends and tradeoffs between barriers and absorption wavelengths, and open-source our data and software to accelerate research in photopharmacology.

The rawly collected training data often comes with separate noisy labels collected from multiple imperfect annotators (e.g., via crowdsourcing). A typical way of using these separate labels is to first aggregate them into one and apply standard training methods. The literature has also studied extensively on effective aggregation approaches. This paper revisits this choice and aims to provide an answer to the question of whether one should aggregate separate noisy labels into single ones or use them separately as given. We theoretically analyze the performance of both approaches under the empirical risk minimization framework for a number of popular loss functions, including the ones designed specifically for the problem of learning with noisy labels. Our theorems conclude that label separation is preferred over label aggregation when the noise rates are high, or the number of labelers/annotations is insufficient. Extensive empirical results validate our conclusions.

Current Natural Language Inference (NLI) models achieve impressive results, sometimes outperforming humans when evaluating on in-distribution test sets. However, as these models are known to learn from annotation artefacts and dataset biases, it is unclear to what extent the models are learning the task of NLI instead of learning from shallow heuristics in their training data. We address this issue by introducing a logical reasoning framework for NLI, creating highly transparent model decisions that are based on logical rules. Unlike prior work, we show that improved interpretability can be achieved without decreasing the predictive accuracy. We almost fully retain performance on SNLI, while also identifying the exact hypothesis spans that are responsible for each model prediction. Using the e-SNLI human explanations, we verify that our model makes sensible decisions at a span level, despite not using any span labels during training. We can further improve model performance and span-level decisions by using the e-SNLI explanations during training. Finally, our model is more robust in a reduced data setting. When training with only 1,000 examples, out-of-distribution performance improves on the MNLI matched and mismatched validation sets by 13% and 16% relative to the baseline. Training with fewer observations yields further improvements, both in-distribution and out-of-distribution.

Graph neural networks (GNNs) have shown superiority in many prediction tasks over graphs due to their impressive capability of capturing nonlinear relations in graph-structured data. However, for node classification tasks, often, only marginal improvement of GNNs over their linear counterparts has been observed. Previous works provide very few understandings of this phenomenon. In this work, we resort to Bayesian learning to deeply investigate the functions of non-linearity in GNNs for node classification tasks. Given a graph generated from the statistical model CSBM, we observe that the max-a-posterior estimation of a node label given its own and neighbors' attributes consists of two types of non-linearity, a possibly non-linear transformation of node attributes and a ReLU-activated feature aggregation from neighbors. The latter surprisingly matches the type of non-linearity used in many GNN models. By further imposing Gaussian assumption on node attributes, we prove that the superiority of those ReLU activations is only significant when the node attributes are far more informative than the graph structure, which nicely matches many previous empirical observations. A similar argument can be achieved when there is a distribution shift of node attributes between the training and testing datasets. Finally, we verify our theory on both synthetic and real-world networks.

Federated Learning (FL) is a distributed machine learning paradigm that enables learning models from decentralized private datasets, where the labeling effort is entrusted to the clients. While most existing FL approaches assume high-quality labels are readily available on users' devices; in reality, label noise can naturally occur in FL and follows a non-i.i.d. distribution among clients. Due to the non-iid-ness challenges, existing state-of-the-art centralized approaches exhibit unsatisfactory performance, while previous FL studies rely on data exchange or repeated server-side aid to improve model's performance. Here, we propose FedLN, a framework to deal with label noise across different FL training stages; namely, FL initialization, on-device model training, and server model aggregation. Specifically, FedLN computes per-client noise-level estimation in a single federated round and improves the models' performance by correcting (or limiting the effect of) noisy samples. Extensive experiments on various publicly available vision and audio datasets demonstrate a 24% improvement on average compared to other existing methods for a label noise level of 70%. We further validate the efficiency of FedLN in human-annotated real-world noisy datasets and report a 9% increase on average in models' recognition rate, highlighting that FedLN can be useful for improving FL services provided to everyday users.

The task of ranking individuals or teams, based on a set of comparisons between pairs, arises in various contexts, including sporting competitions and the analysis of dominance hierarchies among animals and humans. Given data on which competitors beat which others, the challenge is to rank the competitors from best to worst. Here we study the problem of computing rankings when there are multiple, potentially conflicting modes of comparison, such as multiple types of dominance behaviors among animals. We assume that we do not know a priori what information each behavior conveys about the ranking, or even whether they convey any information at all. Nonetheless we show that it is possible to compute a ranking in this situation and present a fast method for doing so, based on a combination of an expectation-maximization algorithm and a modified Bradley-Terry model. We give a selection of example applications to both animal and human competition.

We introduce MOVE, a novel method to segment objects without any form of supervision. MOVE exploits the fact that foreground objects can be shifted locally relative to their initial position and result in realistic (undistorted) new images. This property allows us to train a segmentation model on a dataset of images without annotation and to achieve state of the art (SotA) performance on several evaluation datasets for unsupervised salient object detection and segmentation. In unsupervised single object discovery, MOVE gives an average CorLoc improvement of 7.2% over the SotA, and in unsupervised class-agnostic object detection it gives a relative AP improvement of 53% on average. Our approach is built on top of self-supervised features (e.g. from DINO or MAE), an inpainting network (based on the Masked AutoEncoder) and adversarial training.

In this paper, we propose Dual Image and Video Transformer Architecture (DIViTA) for multi-label movie trailer genre classification. DIViTA performs an input adaption stage that uses shot detection to segment the trailer into highly correlated clips, providing a more cohesive input that allows to leverage pretrained ImageNet and/or Kinetics backbones. We introduce Trailers12k, a movie trailer dataset with manually verified title-trailer pairs, and present a transferability study of representations learned from ImageNet and Kinetics to Trailers12k. Our results show that DIViTA can reduce the gap between the spatio-temporal structure of the source and target datasets, thus improving transferability. Moreover, representations learned on either ImageNet or Kinetics are comparatively transferable to Trailers12k, although they provide complementary information that can be combined to improve classification performance. Interestingly, pretrained lightweight ConvNets provide competitive classification performance, while using a fraction of the computing resources compared to heavier ConvNets and Transformers.

Nuclear fusion represents one of the best alternatives for a sustainable source of clean energy. Tokamaks allow to confine fusion plasma with magnetic fields and one of the main challenges in the control of the magnetic configuration is the prediction/reconstruction of the Last Closed-Flux Surface (LCFS). The evolution in time of the LCFS is determined by the interaction of the actuator coils and the internal tokamak plasma. This task requires real-time capable tools able to deal with high-dimensional data as well as with high resolution in time, where the interaction between a wide range of input actuator coils with internal plasma state responses add additional layer of complexity. In this work, we present the application of a novel state of the art machine learning model to the LCFS reconstruction in the Experimental Advanced Superconducting Tokamak (EAST) that learns automatically from the experimental data of EAST. This architecture allows not only offline simulation and testing of a particular control strategy, but can also be embedded in the real-time control system for online magnetic equilibrium reconstruction and prediction. In the real-time modeling test, our approach achieves very high accuracies, with over 99% average similarity in LCFS reconstruction of the entire discharge process.

Among different existing graph self-supervised learning strategies, graph contrastive learning (GCL) has been one of the most prevalent approaches to this problem. Despite the remarkable performance those GCL methods have achieved, existing GCL methods that heavily depend on various manually designed augmentation techniques still struggle to alleviate the feature suppression issue without risking losing task-relevant information. Consequently, the learned representation is either brittle or unilluminating. In light of this, we introduce the Graph Contrastive Learning with Cross-View Reconstruction (GraphCV), which follows the information bottleneck principle to learn minimal yet sufficient representation from graph data. Specifically, GraphCV aims to elicit the predictive (useful for downstream instance discrimination) and other non-predictive features separately. Except for the conventional contrastive loss which guarantees the consistency and sufficiency of the representation across different augmentation views, we introduce a cross-view reconstruction mechanism to pursue the disentanglement of the two learned representations. Besides, an adversarial view perturbed from the original view is added as the third view for the contrastive loss to guarantee the intactness of the global semantics and improve the representation robustness. We empirically demonstrate that our proposed model outperforms the state-of-the-art on graph classification task over multiple benchmark datasets.

Recently used in various machine learning contexts, the Gromov-Wasserstein distance (GW) allows for comparing distributions whose supports do not necessarily lie in the same metric space. However, this Optimal Transport (OT) distance requires solving a complex non convex quadratic program which is most of the time very costly both in time and memory. Contrary to GW, the Wasserstein distance (W) enjoys several properties (e.g. duality) that permit large scale optimization. Among those, the solution of W on the real line, that only requires sorting discrete samples in 1D, allows defining the Sliced Wasserstein (SW) distance. This paper proposes a new divergence based on GW akin to SW. We first derive a closed form for GW when dealing with 1D distributions, based on a new result for the related quadratic assignment problem. We then define a novel OT discrepancy that can deal with large scale distributions via a slicing approach and we show how it relates to the GW distance while being $O(n\log(n))$ to compute. We illustrate the behavior of this so called Sliced Gromov-Wasserstein (SGW) discrepancy in experiments where we demonstrate its ability to tackle similar problems as GW while being several order of magnitudes faster to compute.

Transfer learning (TL) from pretrained deep models is a standard practice in modern medical image classification (MIC). However, what levels of features to be reused are problem-dependent, and uniformly finetuning all layers of pretrained models may be suboptimal. This insight has partly motivated the recent \emph{differential} TL strategies, such as TransFusion (TF) and layer-wise finetuning (LWFT), which treat the layers in the pretrained models differentially. In this paper, we add one more strategy into this family, called \emph{TruncatedTL}, which reuses and finetunes appropriate bottom layers and directly discards the remaining layers. This yields not only superior MIC performance but also compact models for efficient inference, compared to other differential TL methods. We validate the performance and model efficiency of TruncatedTL on three MIC tasks covering both 2D and 3D images. For example, on the BIMCV COVID-19 classification dataset, we obtain improved performance with around $1/4$ model size and $2/3$ inference time compared to the standard full TL model. Code is available at https://github.com/sun-umn/Transfer-Learning-in-Medical-Imaging.

In the past few years, graph neural networks (GNNs) have become the de facto model of choice for graph classification. While, from the theoretical viewpoint, most GNNs can operate on graphs of any size, it is empirically observed that their classification performance degrades when they are applied on graphs with sizes that differ from those in the training data. Previous works have tried to tackle this issue in graph classification by providing the model with inductive biases derived from assumptions on the generative process of the graphs, or by requiring access to graphs from the test domain. The first strategy is tied to the quality of the assumptions made for the generative process, and requires the use of specific models designed after the explicit definition of the generative process of the data, leaving open the question of how to improve the performance of generic GNN models in general settings. On the other hand, the second strategy can be applied to any GNN, but requires access to information that is not always easy to obtain. In this work we consider the scenario in which we only have access to the training data, and we propose a regularization strategy that can be applied to any GNN to improve its generalization capabilities from smaller to larger graphs without requiring access to the test data. Our regularization is based on the idea of simulating a shift in the size of the training graphs using coarsening techniques, and enforcing the model to be robust to such a shift. Experimental results on standard datasets show that popular GNN models, trained on the 50% smallest graphs in the dataset and tested on the 10% largest graphs, obtain performance improvements of up to 30% when trained with our regularization strategy.

We develop an algorithmic framework for solving convex optimization problems using no-regret game dynamics. By converting the problem of minimizing a convex function into an auxiliary problem of solving a min-max game in a sequential fashion, we can consider a range of strategies for each of the two-players who must select their actions one after the other. A common choice for these strategies are so-called no-regret learning algorithms, and we describe a number of such and prove bounds on their regret. We then show that many classical first-order methods for convex optimization -- including average-iterate gradient descent, the Frank-Wolfe algorithm, the Heavy Ball algorithm, and Nesterov's acceleration methods -- can be interpreted as special cases of our framework as long as each player makes the correct choice of no-regret strategy. Proving convergence rates in this framework becomes very straightforward, as they follow from plugging in the appropriate known regret bounds. Our framework also gives rise to a number of new first-order methods for special cases of convex optimization that were not previously known.

Learning policies via preference-based reward learning is an increasingly popular method for customizing agent behavior, but has been shown anecdotally to be prone to spurious correlations and reward hacking behaviors. While much prior work focuses on causal confusion in reinforcement learning and behavioral cloning, we aim to study it in the context of reward learning. To study causal confusion, we perform a series of sensitivity and ablation analyses on three benchmark domains where rewards learned from preferences achieve minimal test error but fail to generalize to out-of-distribution states -- resulting in poor policy performance when optimized. We find that the presence of non-causal distractor features, noise in the stated preferences, partial state observability, and larger model capacity can all exacerbate causal confusion. We also identify a set of methods with which to interpret causally confused learned rewards: we observe that optimizing causally confused rewards drives the policy off the reward's training distribution, resulting in high predicted (learned) rewards but low true rewards. These findings illuminate the susceptibility of reward learning to causal confusion, especially in high-dimensional environments -- failure to consider even one of many factors (data coverage, state definition, etc.) can quickly result in unexpected, undesirable behavior.

Decentralized optimization is increasingly popular in machine learning for its scalability and efficiency. Intuitively, it should also provide better privacy guarantees, as nodes only observe the messages sent by their neighbors in the network graph. But formalizing and quantifying this gain is challenging: existing results are typically limited to Local Differential Privacy (LDP) guarantees that overlook the advantages of decentralization. In this work, we introduce pairwise network differential privacy, a relaxation of LDP that captures the fact that the privacy leakage from a node $u$ to a node $v$ may depend on their relative position in the graph. We then analyze the combination of local noise injection with (simple or randomized) gossip averaging protocols on fixed and random communication graphs. We also derive a differentially private decentralized optimization algorithm that alternates between local gradient descent steps and gossip averaging. Our results show that our algorithms amplify privacy guarantees as a function of the distance between nodes in the graph, matching the privacy-utility trade-off of the trusted curator, up to factors that explicitly depend on the graph topology. Finally, we illustrate our privacy gains with experiments on synthetic and real-world datasets.

This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

The number of states in a dynamic process is exponential in the number of objects, making reinforcement learning (RL) difficult in complex, multi-object domains. For agents to scale to the real world, they will need to react to and reason about unseen combinations of objects. We argue that the ability to recognize and use local factorization in transition dynamics is a key element in unlocking the power of multi-object reasoning. To this end, we show that (1) known local structure in the environment transitions is sufficient for an exponential reduction in the sample complexity of training a dynamics model, and (2) a locally factored dynamics model provably generalizes out-of-distribution to unseen states and actions. Knowing the local structure also allows us to predict which unseen states and actions this dynamics model will generalize to. We propose to leverage these observations in a novel Model-based Counterfactual Data Augmentation (MoCoDA) framework. MoCoDA applies a learned locally factored dynamics model to an augmented distribution of states and actions to generate counterfactual transitions for RL. MoCoDA works with a broader set of local structures than prior work and allows for direct control over the augmented training distribution. We show that MoCoDA enables RL agents to learn policies that generalize to unseen states and actions. We use MoCoDA to train an offline RL agent to solve an out-of-distribution robotics manipulation task on which standard offline RL algorithms fail.

Deep learning has become the dominant approach in coping with various tasks in Natural LanguageProcessing (NLP). Although text inputs are typically represented as a sequence of tokens, there isa rich variety of NLP problems that can be best expressed with a graph structure. As a result, thereis a surge of interests in developing new deep learning techniques on graphs for a large numberof NLP tasks. In this survey, we present a comprehensive overview onGraph Neural Networks(GNNs) for Natural Language Processing. We propose a new taxonomy of GNNs for NLP, whichsystematically organizes existing research of GNNs for NLP along three axes: graph construction,graph representation learning, and graph based encoder-decoder models. We further introducea large number of NLP applications that are exploiting the power of GNNs and summarize thecorresponding benchmark datasets, evaluation metrics, and open-source codes. Finally, we discussvarious outstanding challenges for making the full use of GNNs for NLP as well as future researchdirections. To the best of our knowledge, this is the first comprehensive overview of Graph NeuralNetworks for Natural Language Processing.

Variational quantum algorithms (VQAs) are among the most promising algorithms in the era of Noisy Intermediate Scale Quantum Devices. Such algorithms are constructed using a parameterization U($\pmb{\theta}$) with a classical optimizer that updates the parameters $\pmb{\theta}$ in order to minimize a cost function $C$. For this task, in general the gradient descent method, or one of its variants, is used. This is a method where the circuit parameters are updated iteratively using the cost function gradient. However, several works in the literature have shown that this method suffers from a phenomenon known as the Barren Plateaus (BP). In this work, we propose a new method to mitigate BPs. In general, the parameters $\pmb{\theta}$ used in the parameterization $U$ are randomly generated. In our method they are obtained from a classical neural network (CNN). We show that this method, besides to being able to mitigate BPs during startup, is also able to mitigate the effect of BPs during the VQA training. In addition, we also show how this method behaves for different CNN architectures.

We study the generalisation properties of majority voting on finite ensembles of classifiers, proving margin-based generalisation bounds via the PAC-Bayes theory. These provide state-of-the-art guarantees on a number of classification tasks. Our central results leverage the Dirichlet posteriors studied recently by Zantedeschi et al. [2021] for training voting classifiers; in contrast to that work our bounds apply to non-randomised votes via the use of margins. Our contributions add perspective to the debate on the "margins theory" proposed by Schapire et al. [1998] for the generalisation of ensemble classifiers.

This work focuses on the apparent emotional reaction recognition (AERR) from the video-only input, conducted in a self-supervised fashion. The network is first pre-trained on different self-supervised pretext tasks and later fine-tuned on the downstream target task. Self-supervised learning facilitates the use of pre-trained architectures and larger datasets that might be deemed unfit for the target task and yet might be useful to learn informative representations and hence provide useful initializations for further fine-tuning on smaller more suitable data. Our presented contribution is two-fold: (1) an analysis of different state-of-the-art (SOTA) pretext tasks for the video-only apparent emotional reaction recognition architecture, and (2) an analysis of various combinations of the regression and classification losses that are likely to improve the performance further. Together these two contributions result in the current state-of-the-art performance for the video-only spontaneous apparent emotional reaction recognition with continuous annotations.

This paper proposes a new approach for privacy-preserving and verifiable convolutional neural network (CNN) testing, enabling a CNN model developer to convince a user of the truthful CNN performance over non-public data from multiple testers, while respecting model privacy. To balance the security and efficiency issues, three new efforts are done by appropriately integrating homomorphic encryption (HE) and zero-knowledge succinct non-interactive argument of knowledge (zk-SNARK) primitives with the CNN testing. First, a CNN model to be tested is strategically partitioned into a private part kept locally by the model developer, and a public part outsourced to an outside server. Then, the private part runs over HE-protected test data sent by a tester and transmits its outputs to the public part for accomplishing subsequent computations of the CNN testing. Second, the correctness of the above CNN testing is enforced by generating zk-SNARK based proofs, with an emphasis on optimizing proving overhead for two-dimensional (2-D) convolution operations, since the operations dominate the performance bottleneck during generating proofs. We specifically present a new quadratic matrix programs (QMPs)-based arithmetic circuit with a single multiplication gate for expressing 2-D convolution operations between multiple filters and inputs in a batch manner. Third, we aggregate multiple proofs with respect to a same CNN model but different testers' test data (i.e., different statements) into one proof, and ensure that the validity of the aggregated proof implies the validity of the original multiple proofs. Lastly, our experimental results demonstrate that our QMPs-based zk-SNARK performs nearly 13.9$\times$faster than the existing QAPs-based zk-SNARK in proving time, and 17.6$\times$faster in Setup time, for high-dimension matrix multiplication.

Federated Learning (FL) is a machine learning paradigm that learns from data kept locally to safeguard the privacy of clients, whereas local SGD is typically employed on the clients' devices to improve communication efficiency. However, such a scheme is currently constrained by the slow and unstable convergence induced by clients' heterogeneous data. In this work, we identify three under-explored phenomena of the biased local learning that may explain these challenges caused by local updates in supervised FL. As a remedy, we propose FedDebias, a novel unified algorithm that reduces the local learning bias on features and classifiers to tackle these challenges. FedDebias consists of two components: The first component alleviates the bias in the local classifiers by balancing the output distribution of models. The second component learns client invariant features that are close to global features but considerably distinct from those learned from other input distributions. In a series of experiments, we show that FedDebias consistently outperforms other SOTA FL and domain generalization (DG) baselines, in which both two components have individual performance gains.

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical subtask for these models is to detect Out-of-distribution (OOD) inputs. Given the nature of the deployment environment, one may expect such OOD inputs to also be fine-grained w.r.t. the known classes (e.g., a novel bird species), which are thus extremely difficult to identify. Unfortunately, OOD detection in fine-grained scenarios remains largely underexplored. In this work, we aim to fill this gap by first carefully constructing four large-scale fine-grained test environments, in which existing methods are shown to have difficulties. Particularly, we find that even explicitly incorporating a diverse set of auxiliary outlier data during training does not provide sufficient coverage over the broad region where fine-grained OOD samples locate. We then propose Mixture Outlier Exposure (MixOE), which mixes ID data and training outliers to expand the coverage of different OOD granularities, and trains the model such that the prediction confidence linearly decays as the input transitions from ID to OOD. Extensive experiments and analyses demonstrate the effectiveness of MixOE for building up OOD detector in fine-grained environments. The code is available at https://github.com/zjysteven/MixOE.

We present modality gap, an intriguing geometric phenomenon of the representation space of multi-modal models. Specifically, we show that different data modalities (e.g. images and text) are embedded at arm's length in their shared representation in multi-modal models such as CLIP. Our systematic analysis demonstrates that this gap is caused by a combination of model initialization and contrastive learning optimization. In model initialization, we show empirically and theoretically that the representation of a common deep neural network is restricted to a narrow cone. As a consequence, in a multi-modal model with two encoders, the representations of the two modalities are clearly apart when the model is initialized. During optimization, contrastive learning keeps the different modalities separate by a certain distance, which is influenced by the temperature parameter in the loss function. Our experiments further demonstrate that varying the modality gap distance has a significant impact in improving the model's downstream zero-shot classification performance and fairness. Our code and data are available at https://modalitygap.readthedocs.io/

We consider the problem of quantum state certification, where we are given the description of a mixed state $\sigma \in \mathbb{C}^{d \times d}$, $n$ copies of a mixed state $\rho \in \mathbb{C}^{d \times d}$, and $\varepsilon > 0$, and we are asked to determine whether $\rho = \sigma$ or whether $\| \rho - \sigma \|_1 > \varepsilon$. When $\sigma$ is the maximally mixed state $\frac{1}{d} I_d$, this is known as mixedness testing. We focus on algorithms which use incoherent measurements, i.e. which only measure one copy of $\rho$ at a time. Unlike those that use entangled, multi-copy measurements, these can be implemented without persistent quantum memory and thus represent a large class of protocols that can be run on current or near-term devices. For mixedness testing, there is a folklore algorithm which uses incoherent measurements and only needs $O(d^{3/2} / \varepsilon^2)$ copies. The algorithm is non-adaptive, that is, its measurements are fixed ahead of time, and is known to be optimal for non-adaptive algorithms. However, when the algorithm can make arbitrary incoherent measurements, the best known lower bound is only $\Omega (d^{4/3} / \varepsilon^2)$ [Bubeck-Chen-Li '20], and it has been an outstanding open problem to close this polynomial gap. In this work, 1) we settle the copy complexity of mixedness testing with incoherent measurements and show that $\Omega (d^{3/2} / \varepsilon^2)$ copies are necessary, and 2) we show the instance-optimal bounds for state certification to general $\sigma$ first derived by [Chen-Li-O'Donnell '21] for non-adaptive measurements also hold for arbitrary incoherent measurements. Qualitatively, our results say that adaptivity does not help at all for these problems. Our results are based on new techniques that allow us to reduce the problem to understanding certain matrix martingales, which we believe may be of independent interest.

Deep Reinforcement Learning (DRL) has achieved remarkable success in scenarios such as games and has emerged as a potential solution for control tasks. That is due to its ability to leverage scalability and handle complex dynamics. However, few works have targeted environments grounded in real-world settings. Indeed, real-world scenarios can be challenging, especially when faced with the high dimensionality of the state space and unknown reward function. We release a testbed consisting of an environment simulator and demonstrations of human operation concerning pump scheduling of a real-world water distribution facility to facilitate research. The pump scheduling problem can be viewed as a decision process to decide when to operate pumps to supply water while limiting electricity consumption and meeting system constraints. To provide a starting point, we release a well-documented codebase, present an overview of some challenges that can be addressed and provide a baseline representation of the problem. The code and dataset are available at https://gitlab.com/hdonancio/pumpscheduling.

Deep neural networks are vulnerable to adversarial attacks, such as backdoor attacks in which a malicious adversary compromises a model during training such that specific behaviour can be triggered at test time by attaching a specific word or phrase to an input. This paper considers the problem of diagnosing whether a model has been compromised and if so, identifying the backdoor trigger. We present the first robust defence mechanism that generalizes to several backdoor attacks against text classification models, without prior knowledge of the attack type, nor does our method require access to any (potentially compromised) training resources. Our experiments show that our technique is highly accurate at defending against state-of-the-art backdoor attacks, including data poisoning and weight poisoning, across a range of text classification tasks and model architectures. Our code will be made publicly available upon acceptance.

Filter pruning of a CNN is typically achieved by applying discrete masks on the CNN's filter weights or activation maps, post-training. Here, we present a new filter-importance-scoring concept named pruning by active attention manipulation (PAAM), that sparsifies the CNN's set of filters through a particular attention mechanism, during-training. PAAM learns analog filter scores from the filter weights by optimizing a cost function regularized by an additive term in the scores. As the filters are not independent, we use attention to dynamically learn their correlations. Moreover, by training the pruning scores of all layers simultaneously, PAAM can account for layer inter-dependencies, which is essential to finding a performant sparse sub-network. PAAM can also train and generate a pruned network from scratch in a straightforward, one-stage training process without requiring a pre-trained network. Finally, PAAM does not need layer-specific hyperparameters and pre-defined layer budgets, since it can implicitly determine the appropriate number of filters in each layer. Our experimental results on different network architectures suggest that PAAM outperforms state-of-the-art structured-pruning methods (SOTA). On CIFAR-10 dataset, without requiring a pre-trained baseline network, we obtain 1.02% and 1.19% accuracy gain and 52.3% and 54% parameters reduction, on ResNet56 and ResNet110, respectively. Similarly, on the ImageNet dataset, PAAM achieves 1.06% accuracy gain while pruning 51.1% of the parameters on ResNet50. For Cifar-10, this is better than the SOTA with a margin of 9.5% and 6.6%, respectively, and on ImageNet with a margin of 11%.

Complex time-varying systems are often studied by abstracting away from the dynamics of individual components to build a model of the population-level dynamics from the start. However, when building a population-level description, it can be easy to lose sight of each individual and how they contribute to the larger picture. In this paper, we present a novel transformer architecture for learning from time-varying data that builds descriptions of both the individual as well as the collective population dynamics. Rather than combining all of our data into our model at the onset, we develop a separable architecture that operates on individual time-series first before passing them forward; this induces a permutation-invariance property and can be used to transfer across systems of different size and order. After demonstrating that our model can be applied to successfully recover complex interactions and dynamics in many-body systems, we apply our approach to populations of neurons in the nervous system. On neural activity datasets, we show that our model not only yields robust decoding performance, but also provides impressive performance in transfer across recordings of different animals without any neuron-level correspondence. By enabling flexible pre-training that can be transferred to neural recordings of different size and order, our work provides a first step towards creating a foundation model for neural decoding.

A major problem of deep neural networks for image classification is their vulnerability to domain changes at test-time. Recent methods have proposed to address this problem with test-time training (TTT), where a two-branch model is trained to learn a main classification task and also a self-supervised task used to perform test-time adaptation. However, these techniques require defining a proxy task specific to the target application. To tackle this limitation, we propose TTTFlow: a Y-shaped architecture using an unsupervised head based on Normalizing Flows to learn the normal distribution of latent features and detect domain shifts in test examples. At inference, keeping the unsupervised head fixed, we adapt the model to domain-shifted examples by maximizing the log likelihood of the Normalizing Flow. Our results show that our method can significantly improve the accuracy with respect to previous works.

Supervised Causal Learning (SCL) aims to learn causal relations from observational data by accessing previously seen datasets associated with ground truth causal relations. This paper presents a first attempt at addressing a fundamental question: What are the benefits from supervision and how does it benefit? Starting from seeing that SCL is not better than random guessing if the learning target is non-identifiable a priori, we propose a two-phase paradigm for SCL by explicitly considering structure identifiability. Following this paradigm, we tackle the problem of SCL on discrete data and propose ML4C. The core of ML4C is a binary classifier with a novel learning target: it classifies whether an Unshielded Triple (UT) is a v-structure or not. Specifically, starting from an input dataset with the corresponding skeleton provided, ML4C orients each UT once it is classified as a v-structure. These v-structures are together used to construct the final output. To address the fundamental question of SCL, we propose a principled method for ML4C featurization: we exploit the vicinity of a given UT (i.e., the neighbors of UT in skeleton), and derive features by considering the conditional dependencies and structural entanglement within the vicinity. We further prove that ML4C is asymptotically correct. Last but foremost, thorough experiments conducted on benchmark datasets demonstrate that ML4C remarkably outperforms other state-of-the-art algorithms in terms of accuracy, reliability, robustness and tolerance. In summary, ML4C shows promising results on validating the effectiveness of supervision for causal learning. Our codes are publicly available at https://github.com/microsoft/ML4C.

Texture-based classification solutions have proven their significance in many domains, from industrial inspections to health-related applications. New methods have been developed based on texture feature learning and CNN-based architectures to address computer vision use cases for images with rich texture-based features. In recent years, architectures solving texture-based classification problems and demonstrating state-of-the-art results have emerged. Yet, one limitation of these approaches is that they cannot claim to be suitable for all types of image texture patterns. Each technique has an advantage for a specific texture type only. To address this shortcoming, we propose a framework that combines more than one texture-based techniques together, uniquely, with a CNN backbone to extract the most relevant texture features. This enables the model to be trained in a self-selective manner and produce improved results over current published benchmarks -- with almost same number of model parameters. Our proposed framework works well on most texture types simultaneously and allows flexibility for additional texture-based methods to be accommodated to achieve better results than existing architectures. In this work, firstly, we present an analysis on the relative importance of existing techniques when used alone and in combination with other TE methods on benchmark datasets. Secondly, we show that Global Average Pooling which represents the spatial information -- is of less significance in comparison to the TE method(s) applied in the network while training for texture-based classification tasks. Finally, we present state-of-the-art results for several texture-based benchmark datasets by combining three existing texture-based techniques using our proposed framework.

Since the late '50s, when the first artificial satellite was launched, the number of resident space objects (RSOs) has steadily increased. It is estimated that around 1 Million objects larger than 1 cm are currently orbiting the Earth, with only 30,000, larger than 10 cm, presently being tracked. To avert a chain reaction of collisions, termed Kessler Syndrome, it is indispensable to accurately track and predict space debris and satellites' orbit alike. Current physics-based methods have errors in the order of kilometres for 7 days predictions, which is insufficient when considering space debris that have mostly less than 1 meter. Typically, this failure is due to uncertainty around the state of the space object at the beginning of the trajectory, forecasting errors in environmental conditions such as atmospheric drag, as well as specific unknown characteristics such as mass or geometry of the RSO. Leveraging data-driven techniques, namely machine learning, the orbit prediction accuracy can be enhanced: by deriving unmeasured objects' characteristics, improving non-conservative forces' effects, and by the superior abstraction capacity that Deep Learning models have of modelling highly complex non-linear systems. In this survey, we provide an overview of the current work being done in this field.

A cognitive radar is a constrained utility maximizer that adapts its sensing mode in response to a changing environment. If an adversary can estimate the utility function of a cognitive radar, it can determine the radar's sensing strategy and mitigate the radar performance via electronic countermeasures (ECM). This paper discusses how a cognitive radar can {\em hide} its strategy from an adversary that detects cognition. The radar does so by transmitting purposefully designed sub-optimal responses to spoof the adversary's Neyman-Pearson detector. We provide theoretical guarantees by ensuring the Type-I error probability of the adversary's detector exceeds a pre-defined level for a specified tolerance on the radar's performance loss. We illustrate our cognition masking scheme via numerical examples involving waveform adaptation and beam allocation. We show that small purposeful deviations from the optimal strategy of the radar confuse the adversary by significant amounts, thereby masking the radar's cognition. Our approach uses novel ideas from revealed preference in microeconomics and adversarial inverse reinforcement learning. Our proposed algorithms provide a principled approach for system-level electronic counter-countermeasures (ECCM) to mask the radar's cognition, i.e., hide the radar's strategy from an adversary. We also provide performance bounds for our cognition masking scheme when the adversary has misspecified measurements of the radar's response.

The problem of attempting to learn the mapping between data and labels is the crux of any machine learning task. It is, therefore, of interest to the machine learning community on practical as well as theoretical counts to consider the existence of a test or criterion for deciding the feasibility of attempting to learn. We investigate the existence of such a criterion in the setting of PAC-learning, basing the feasibility solely on whether the mapping to be learnt lends itself to approximation by a given class of hypothesis functions. We show that no such criterion exists, exposing a fundamental limitation in the decidability of learning. In other words, we prove that testing for PAC-learnability is undecidable in the Turing sense. We also briefly discuss some of the probable implications of this result to the current practice of machine learning.

The design of effective online caching policies is an increasingly important problem for content distribution networks, online social networks and edge computing services, among other areas. This paper proposes a new algorithmic toolbox for tackling this problem through the lens of \emph{optimistic} online learning. We build upon the Follow-the-Regularized-Leader (FTRL) framework, which is developed further here to include predictions for the file requests, and we design online caching algorithms for bipartite networks with pre-reserved or dynamic storage subject to time-average budget constraints. The predictions are provided by a content recommendation system that influences the users viewing activity and hence can naturally reduce the caching network's uncertainty about future requests. We also extend the framework to learn and utilize the best request predictor in cases where many are available. We prove that the proposed {optimistic} learning caching policies can achieve \emph{sub-zero} performance loss (regret) for perfect predictions, and maintain the sub-linear regret bound $O(\sqrt T)$, which is the best achievable bound for policies that do not use predictions, even for arbitrary-bad predictions. The performance of the proposed algorithms is evaluated with detailed trace-driven numerical tests.

We introduce ObSynth, an interactive system leveraging the domain knowledge embedded in large language models (LLMs) to help users design object models from high level natural language prompts. This is an example of specification reification, the process of taking a high-level, potentially vague specification and reifying it into a more concrete form. We evaluate ObSynth via a user study, leading to three key findings: first, object models designed using ObSynth are more detailed, showing that it often synthesizes fields users might have otherwise omitted. Second, a majority of objects, methods, and fields generated by ObSynth are kept by the user in the final object model, highlighting the quality of generated components. Third, ObSynth altered the workflow of participants: they focus on checking that synthesized components were correct rather than generating them from scratch, though ObSynth did not reduce the time participants took to generate object models.

Neural network models generally involve two important components, i.e., network architecture and neuron model. Although there are abundant studies about network architectures, only a few neuron models have been developed, such as the MP neuron model developed in 1943 and the spiking neuron model developed in the 1950s. Recently, a new bio-plausible neuron model, Flexible Transmitter (FT) model, has been proposed. It exhibits promising behaviors, particularly on temporal-spatial signals, even when simply embedded into the common feedforward network architecture. This paper attempts to understand the properties of the FT network (FTNet) theoretically. Under mild assumptions, we show that: i) FTNet is a universal approximator; ii) the approximation complexity of FTNet can be exponentially smaller than those of commonly-used real-valued neural networks with feedforward/recurrent architectures and is of the same order in the worst case; iii) any local minimum of FTNet is the global minimum, implying that it is possible to identify global minima by local search algorithms.

Predictive multiplicity occurs when classification models with statistically indistinguishable performances assign conflicting predictions to individual samples. When used for decision-making in applications of consequence (e.g., lending, education, criminal justice), models developed without regard for predictive multiplicity may result in unjustified and arbitrary decisions for specific individuals. We introduce a new metric, called Rashomon Capacity, to measure predictive multiplicity in probabilistic classification. Prior metrics for predictive multiplicity focus on classifiers that output thresholded (i.e., 0-1) predicted classes. In contrast, Rashomon Capacity applies to probabilistic classifiers, capturing more nuanced score variations for individual samples. We provide a rigorous derivation for Rashomon Capacity, argue its intuitive appeal, and demonstrate how to estimate it in practice. We show that Rashomon Capacity yields principled strategies for disclosing conflicting models to stakeholders. Our numerical experiments illustrate how Rashomon Capacity captures predictive multiplicity in various datasets and learning models, including neural networks. The tools introduced in this paper can help data scientists measure and report predictive multiplicity prior to model deployment.

Score-based generative models are a new class of generative algorithms that have been shown to produce realistic images even in high dimensional spaces, currently surpassing other state-of-the-art models for different benchmark categories and applications. In this work we introduce CaloScore, a score-based generative model for collider physics applied to calorimeter shower generation. Three different diffusion models are investigated using the Fast Calorimeter Simulation Challenge 2022 dataset. CaloScore is the first application of a score-based generative model in collider physics and is able to produce high-fidelity calorimeter images for all datasets, providing an alternative paradigm for calorimeter shower simulation.

When utilising PAC-Bayes theory for risk certification, it is usually necessary to estimate and bound the Gibbs risk of the PAC-Bayes posterior. Many works in the literature employ a method for this which requires a large number of passes of the dataset, incurring high computational cost. This manuscript presents a very general alternative which makes computational savings on the order of the dataset size.

The existence of spurious correlations such as image backgrounds in the training environment can make empirical risk minimization (ERM) perform badly in the test environment. To address this problem, Kirichenko et al. (2022) empirically found that the core features that are causally related to the outcome can still be learned well even with the presence of spurious correlations. This opens a promising strategy to first train a feature learner rather than a classifier, and then perform linear probing (last layer retraining) in the test environment. However, a theoretical understanding of when and why this approach works is lacking. In this paper, we find that core features are only learned well when they are less noisy than spurious features, which is not necessarily true in practice. We provide both theories and experiments to support this finding and to illustrate the importance of feature noise. Moreover, we propose an algorithm called Freeze then Train (FTT), that first freezes certain salient features and then trains the rest of the features using ERM. We theoretically show that FTT preserves features that are more beneficial to test time probing. Across two commonly used real-world benchmarks, FTT outperforms ERM, JTT and CVaR-DRO, with especially substantial improvement in accuracy (by 4.8%) when the feature noise is large.

In the process industry, condition monitoring systems with automated fault diagnosis methods assist human experts and thereby improve maintenance efficiency, process sustainability, and workplace safety. Improving the automated fault diagnosis methods using data and machine learning-based models is a central aspect of intelligent fault diagnosis (IFD). A major challenge in IFD is to develop realistic datasets with accurate labels needed to train and validate models, and to transfer models trained with labeled lab data to heterogeneous process industry environments. However, fault descriptions and work-orders written by domain experts are increasingly digitised in modern condition monitoring systems, for example in the context of rotating equipment monitoring. Thus, domain-specific knowledge about fault characteristics and severities exists as technical language annotations in industrial datasets. Furthermore, recent advances in natural language processing enable weakly supervised model optimisation using natural language annotations, most notably in the form of natural language supervision (NLS). This creates a timely opportunity to develop technical language supervision (TLS) solutions for IFD systems grounded in industrial data, for example as a complement to pre-training with lab data to address problems like overfitting and inaccurate out-of-sample generalisation. We surveyed the literature and identify a considerable improvement in the maturity of NLS over the last two years, facilitating applications beyond natural language; a rapid development of weak supervision methods; and transfer learning as a current trend in IFD which can benefit from these developments. Finally we describe a general framework for TLS and implement a TLS case study based on SentenceBERT and contrastive learning based zero-shot inference on annotated industry data.

Ensembling certifiably robust neural networks is a promising approach for improving the \emph{certified robust accuracy} of neural models. Black-box ensembles that assume only query-access to the constituent models (and their robustness certifiers) during prediction are particularly attractive due to their modular structure. Cascading ensembles are a popular instance of black-box ensembles that appear to improve certified robust accuracies in practice. However, we show that the robustness certifier used by a cascading ensemble is unsound. That is, when a cascading ensemble is certified as locally robust at an input $x$ (with respect to $\epsilon$), there can be inputs $x'$ in the $\epsilon$-ball centered at $x$, such that the cascade's prediction at $x'$ is different from $x$ and thus the ensemble is not locally robust. Our theoretical findings are accompanied by empirical results that further demonstrate this unsoundness. We present \emph{cascade attack} (CasA), an adversarial attack against cascading ensembles, and show that: (1) there exists an adversarial input for up to 88\% of the samples where the ensemble claims to be certifiably robust and accurate; and (2) the accuracy of a cascading ensemble under our attack is as low as 11\% when it claims to be certifiably robust and accurate on 97\% of the test set. Our work reveals a critical pitfall of cascading certifiably robust models by showing that the seemingly beneficial strategy of cascading can actually hurt the robustness of the resulting ensemble. Our code is available at \url{https://github.com/TristaChi/ensembleKW}.

Medical report generation task, which targets to produce long and coherent descriptions of medical images, has attracted growing research interests recently. Different from the general image captioning tasks, medical report generation is more challenging for data-driven neural models. This is mainly due to 1) the serious data bias and 2) the limited medical data. To alleviate the data bias and make best use of available data, we propose a Competence-based Multimodal Curriculum Learning framework (CMCL). Specifically, CMCL simulates the learning process of radiologists and optimizes the model in a step by step manner. Firstly, CMCL estimates the difficulty of each training instance and evaluates the competence of current model; Secondly, CMCL selects the most suitable batch of training instances considering current model competence. By iterating above two steps, CMCL can gradually improve the model's performance. The experiments on the public IU-Xray and MIMIC-CXR datasets show that CMCL can be incorporated into existing models to improve their performance.

Most adversarial attack methods that are designed to deceive a text classifier change the text classifier's prediction by modifying a few words or characters. Few try to attack classifiers by rewriting a whole sentence, due to the difficulties inherent in sentence-level rephrasing as well as the problem of setting the criteria for legitimate rewriting. In this paper, we explore the problem of creating adversarial examples with sentence-level rewriting. We design a new sampling method, named ParaphraseSampler, to efficiently rewrite the original sentence in multiple ways. Then we propose a new criteria for modification, called a sentence-level threaten model. This criteria allows for both word- and sentence-level changes, and can be adjusted independently in two dimensions: semantic similarity and grammatical quality. Experimental results show that many of these rewritten sentences are misclassified by the classifier. On all 6 datasets, our ParaphraseSampler achieves a better attack success rate than our baseline.

We study the problem of policy optimization (PO) with linear temporal logic (LTL) constraints. The language of LTL allows flexible description of tasks that may be unnatural to encode as a scalar cost function. We consider LTL-constrained PO as a systematic framework, decoupling task specification from policy selection, and as an alternative to the standard of cost shaping. With access to a generative model, we develop a model-based approach that enjoys a sample complexity analysis for guaranteeing both task satisfaction and cost optimality (through a reduction to a reachability problem). Empirically, our algorithm can achieve strong performance even in low-sample regimes.

An every increasing number of clinical trials features a time-to-event outcome and records non-tabular patient data, such as magnetic resonance imaging or text data in the form of electronic health records. Recently, several neural-network based solutions have been proposed, some of which are binary classifiers. Parametric, distribution-free approaches which make full use of survival time and censoring status have not received much attention. We present deep conditional transformation models (DCTMs) for survival outcomes as a unifying approach to parametric and semiparametric survival analysis. DCTMs allow the specification of non-linear and non-proportional hazards for both tabular and non-tabular data and extend to all types of censoring and truncation. On real and semi-synthetic data, we show that DCTMs compete with state-of-the-art DL approaches to survival analysis.

Masked image modeling (MIM) has been recognized as a strong and popular self-supervised pre-training approach in the vision domain. However, the interpretability of the mechanism and properties of the learned representations by such a scheme are so far not well-explored. In this work, through comprehensive experiments and empirical studies on Masked Autoencoders (MAE), we address two critical questions to explore the behaviors of the learned representations: (i) Are the latent representations in Masked Autoencoders linearly separable if the input is a mixture of two images instead of one? This can be concrete evidence used to explain why MAE-learned representations have superior performance on downstream tasks, as proven by many literature impressively. (ii) What is the degree of semantics encoded in the latent feature space by Masked Autoencoders? To explore these two problems, we propose a simple yet effective Interpretable MAE (i-MAE) framework with a two-way image reconstruction and a latent feature reconstruction with distillation loss to help us understand the behaviors inside MAE's structure. Extensive experiments are conducted on CIFAR-10/100, Tiny-ImageNet and ImageNet-1K datasets to verify the observations we discovered. Furthermore, in addition to qualitatively analyzing the characteristics of the latent representations, we examine the existence of linear separability and the degree of semantics in the latent space by proposing two novel metrics. The surprising and consistent results across the qualitative and quantitative experiments demonstrate that i-MAE is a superior framework design for interpretability research of MAE frameworks, as well as achieving better representational ability. Code is available at https://github.com/vision-learning-acceleration-lab/i-mae.

Partial client participation has been widely adopted in Federated Learning (FL) to efficiently reduce the communication burden. However, an improper client sampling scheme will select unrepresentative subsets, which will cause a large variance in the model update and slows down the convergence. Existing sampling methods are either biased or can be further improved to accelerate the convergence. In this paper, we propose an unbiased sampling scheme, termed DELTA, to alleviate this problem. In particular, DELTA characterizes the impact of client diversity and local variance and samples the representative clients who carry valuable information for global model updates. Moreover, DELTA is a provably optimal unbiased sampling scheme that minimizes the variance caused by partial client participation and achieves better convergence than other unbiased sampling schemes. We corroborate our results with experiments on both synthetic and real data sets.

The problem of constrained Markov decision process is considered. An agent aims to maximize the expected accumulated discounted reward subject to multiple constraints on its costs (the number of constraints is relatively small). A new dual approach is proposed with the integration of two ingredients: entropy regularized policy optimizer and Vaidya's dual optimizer, both of which are critical to achieve faster convergence. The finite-time error bound of the proposed approach is provided. Despite the challenge of the nonconcave objective subject to nonconcave constraints, the proposed approach is shown to converge (with linear rate) to the global optimum. The complexity expressed in terms of the optimality gap and the constraint violation significantly improves upon the existing primal-dual approaches.

In this note we demonstrate provable convergence of SGD to the global minima of appropriately regularized $\ell_2-$empirical risk of depth $2$ nets -- for arbitrary data and with any number of gates, if they are using adequately smooth and bounded activations like sigmoid and tanh. We build on the results in [1] and leverage a constant amount of Frobenius norm regularization on the weights, along with sampling of the initial weights from an appropriate distribution. We also give a continuous time SGD convergence result that also applies to smooth unbounded activations like SoftPlus. Our key idea is to show the existence loss functions on constant sized neural nets which are "Villani Functions".

Finetuning language models on a collection of datasets phrased as instructions has been shown to improve model performance and generalization to unseen tasks. In this paper we explore instruction finetuning with a particular focus on (1) scaling the number of tasks, (2) scaling the model size, and (3) finetuning on chain-of-thought data. We find that instruction finetuning with the above aspects dramatically improves performance on a variety of model classes (PaLM, T5, U-PaLM), prompting setups (zero-shot, few-shot, CoT), and evaluation benchmarks (MMLU, BBH, TyDiQA, MGSM, open-ended generation). For instance, Flan-PaLM 540B instruction-finetuned on 1.8K tasks outperforms PALM 540B by a large margin (+9.4% on average). Flan-PaLM 540B achieves state-of-the-art performance on several benchmarks, such as 75.2% on five-shot MMLU. We also publicly release Flan-T5 checkpoints, which achieve strong few-shot performance even compared to much larger models, such as PaLM 62B. Overall, instruction finetuning is a general method for improving the performance and usability of pretrained language models.

We consider the problem of finding the smallest or largest entry of a tensor of order $N$ that is specified via its rank decomposition. Stated in a different way, we are given $N$ sets of $R$-dimensional vectors and we wish to select one vector from each set such that the sum of the Hadamard product of the selected vectors is minimized or maximized. This is a fundamental tensor problem with numerous applications in embedding similarity search, recommender systems, graph mining, multivariate probability, and statistics. We show that this discrete optimization problem is NP-hard for any tensor rank higher than one, but also provide an equivalent continuous problem reformulation which is amenable to disciplined non-convex optimization. We propose a suite of gradient-based approximation algorithms whose performance in preliminary experiments appears to be promising.

In practice, multi-task learning (through learning features shared among tasks) is an essential property of deep neural networks (NNs). While infinite-width limits of NNs can provide good intuition for their generalization behavior, the well-known infinite-width limits of NNs in the literature (e.g., neural tangent kernels) assume specific settings in which wide ReLU-NNs behave like shallow Gaussian Processes with a fixed kernel. Consequently, in such settings, these NNs lose their ability to benefit from multi-task learning in the infinite-width limit. In contrast, we prove that optimizing wide ReLU neural networks with at least one hidden layer using L2-regularization on the parameters promotes multi-task learning due to representation-learning - also in the limiting regime where the network width tends to infinity. We present an exact quantitative characterization of this infinite width limit in an appropriate function space that neatly describes multi-task learning.

State-of-the-art machine learning models can be vulnerable to very small input perturbations that are adversarially constructed. Adversarial training is an effective approach to defend against such examples. It is formulated as a min-max problem, searching for the best solution when the training data was corrupted by the worst-case attacks. For linear regression problems, adversarial training can be formulated as a convex problem. We use this reformulation to make two technical contributions: First, we formulate the training problem as an instance of robust regression to reveal its connection to parameter-shrinking methods, specifically that $\ell_\infty$-adversarial training produces sparse solutions. Secondly, we study adversarial training in the overparameterized regime, i.e. when there are more parameters than data. We prove that adversarial training with small disturbances gives the solution with the minimum-norm that interpolates the training data. Ridge regression and lasso approximate such interpolating solutions as their regularization parameter vanishes. By contrast, for adversarial training, the transition into the interpolation regime is abrupt and for non-zero values of disturbance. This result is proved and illustrated with numerical examples.

Real world datasets contain incorrectly labeled instances that hamper the performance of the model and, in particular, the ability to generalize out of distribution. Also, each example might have different contribution towards learning. This motivates studies to better understanding of the role of data instances with respect to their contribution in good metrics in models. In this paper we propose a method based on metrics computed from training dynamics of Gradient Boosting Decision Trees (GBDTs) to assess the behavior of each training example. We focus on datasets containing mostly tabular or structured data, for which the use of Decision Trees ensembles are still the state-of-the-art in terms of performance. We show results on detecting noisy labels in order to either remove them, improving models' metrics in synthetic and real datasets, as well as a productive dataset. Our methods achieved the best results overall when compared with confident learning and heuristics.

Structure-based drug design uses three-dimensional geometric information of macromolecules, such as proteins or nucleic acids, to identify suitable ligands. Geometric deep learning, an emerging concept of neural-network-based machine learning, has been applied to macromolecular structures. This review provides an overview of the recent applications of geometric deep learning in bioorganic and medicinal chemistry, highlighting its potential for structure-based drug discovery and design. Emphasis is placed on molecular property prediction, ligand binding site and pose prediction, and structure-based de novo molecular design. The current challenges and opportunities are highlighted, and a forecast of the future of geometric deep learning for drug discovery is presented.

Pre-trained language models (PrLMs) have achieved great success on a wide range of natural language processing tasks by virtue of the universal language representation ability obtained by self-supervised learning on a large corpus. These models are pre-trained on standard plain texts with general language model (LM) training objectives, which would be insufficient to model dialogue-exclusive attributes like specificity and informativeness reflected in these tasks that are not explicitly captured by the pre-trained universal language representations. In this work, we propose dialogue-adaptive pre-training objectives (DAPO) derived from quality estimation to simulate dialogue-specific features, namely coherence, specificity, and informativeness. As the foundation for model pre-training, we synthesize a new dialogue corpus and build our training set with two unsupervised methods: 1) coherence-oriented context corruption, including utterance ordering, insertion, and replacement, to help the model capture the coherence inside the dialogue contexts; and 2) specificity-oriented automatic rescoring, which encourages the model to measure the quality of the synthesized data for dialogue-adaptive pre-training by considering specificity and informativeness. Experimental results on widely used open-domain response selection and quality estimation benchmarks show that DAPO significantly improves the baseline models and achieves state-of-the-art performance on the MuTual leaderboard, verifying the effectiveness of estimating quality evaluation factors into pre-training.

Cardiac disease is the leading cause of death in the US. Accurate heart disease detection is of critical importance for timely medical treatment to save patients' lives. Routine use of electrocardiogram (ECG) is the most common method for physicians to assess the electrical activities of the heart and detect possible abnormal cardiac conditions. Fully utilizing the ECG data for reliable heart disease detection depends on developing effective analytical models. In this paper, we propose a two-level hierarchical deep learning framework with Generative Adversarial Network (GAN) for automatic diagnosis of ECG signals. The first-level model is composed of a Memory-Augmented Deep auto-Encoder with GAN (MadeGAN), which aims to differentiate abnormal signals from normal ECGs for anomaly detection. The second-level learning aims at robust multi-class classification for different arrhythmias identification, which is achieved by integrating the transfer learning technique to transfer knowledge from the first-level learning with the multi-branching architecture to handle the data-lacking and imbalanced data issue. We evaluate the performance of the proposed framework using real-world medical data from the MIT-BIH arrhythmia database. Experimental results show that our proposed model outperforms existing methods that are commonly used in current practice.

Nowadays, Hearth Rate (HR) monitoring is a key feature of almost all wrist-worn devices exploiting photoplethysmography (PPG) sensors. However, arm movements affect the performance of PPG-based HR tracking. This issue is usually addressed by fusing the PPG signal with data produced by inertial measurement units. Thus, deep learning algorithms have been proposed, but they are considered too complex to deploy on wearable devices and lack the explainability of results. In this work, we present a new deep learning model, PULSE, which exploits temporal convolutions and multi-head cross-attention to improve sensor fusion's effectiveness and achieve a step towards explainability. We evaluate the performance of PULSE on three publicly available datasets, reducing the mean absolute error by 7.56% on the most extensive available dataset, PPG-DaLiA. Finally, we demonstrate the explainability of PULSE and the benefits of applying attention modules to PPG and motion data.

In deep reinforcement learning (RL), data augmentation is widely considered as a tool to induce a set of useful priors about semantic consistency and improve sample efficiency and generalization performance. However, even when the prior is useful for generalization, distilling it to RL agent often interferes with RL training and degenerates sample efficiency. Meanwhile, the agent is forgetful of the prior due to the non-stationary nature of RL. These observations suggest two extreme schedules of distillation: (i) over the entire training; or (ii) only at the end. Hence, we devise a stand-alone network distillation method to inject the consistency prior at any time (even after RL), and a simple yet efficient framework to automatically schedule the distillation. Specifically, the proposed framework first focuses on mastering train environments regardless of generalization by adaptively deciding which {\it or no} augmentation to be used for the training. After this, we add the distillation to extract the remaining benefits for generalization from all the augmentations, which requires no additional new samples. In our experiments, we demonstrate the utility of the proposed framework, in particular, that considers postponing the augmentation to the end of RL training.

Complex prediction models such as deep learning are the output from fitting machine learning, neural networks, or AI models to a set of training data. These are now standard tools in science. A key challenge with the current generation of models is that they are highly parameterized, which makes describing and interpreting the prediction strategies difficult. We use topological data analysis to transform these complex prediction models into pictures representing a topological view. The result is a map of the predictions that enables inspection. The methods scale up to large datasets across different domains and enable us to detect labeling errors in training data, understand generalization in image classification, and inspect predictions of likely pathogenic mutations in the BRCA1 gene.

Recently self supervised learning has seen explosive growth and use in variety of machine learning tasks because of its ability to avoid the cost of annotating large-scale datasets. This paper gives an overview for best self supervised learning approaches for multimodal learning. The presented approaches have been aggregated by extensive study of the literature and tackle the application of self supervised learning in different ways. The approaches discussed are cross modal generation, cross modal pretraining, cyclic translation, and generating unimodal labels in self supervised fashion.

Ransomware has appeared as one of the major global threats in recent days The alarming increasing rate of ransomware attacks and new ransomware variants intrigue the researchers to constantly examine the distinguishing traits of ransomware and refine their detection strategies Application Programming Interface API is a way for one program to collaborate with another API calls are the medium by which they communicate Ransomware uses this strategy to interact with the OS and makes a significantly higher number of calls in different sequences to ask for taking action This research work utilizes the frequencies of different API calls to detect and classify ransomware families First a WebCrawler is developed to automate collecting the Windows Portable Executable PE files of 15 different ransomware families By extracting different frequencies of 68 API calls we develop our dataset in the first phase of the two phase feature engineering process After selecting the most significant features in the second phase of the feature engineering process we deploy six Supervised Machine Learning models Naive Bayes Logistic Regression Random Forest Stochastic Gradient Descent K Nearest Neighbor and Support Vector Machine Then the performances of all the classifiers are compared to select the best model The results reveal that Logistic Regression can efficiently classify ransomware into their corresponding families securing 9915 accuracy Finally instead of relying on the Black box characteristic of the Machine Learning models we present the interpretability of our best performing model using SHAP values to ascertain the transparency and trustworthiness of the models prediction

Recent advances in self-supervised learning integrate Masked Modeling and Siamese Networks into a single framework to fully reap the advantages of both the two techniques. However, previous erasing-based masking scheme in masked image modeling is not originally designed for siamese networks. Existing approaches simply inherit the default loss design from previous siamese networks, and ignore the information loss and distance change after employing masking operation in the frameworks. In this paper, we propose a filling-based masking strategy called MixMask to prevent information loss due to the randomly erased areas of an image in vanilla masking method. We further introduce a dynamic loss function design with soft distance to adapt the integrated architecture and avoid mismatches between transformed input and objective in Masked Siamese ConvNets (MSCN). The dynamic loss distance is calculated according to the proposed mix-masking scheme. Extensive experiments are conducted on various datasets of CIFAR-100, Tiny-ImageNet and ImageNet-1K. The results demonstrate that the proposed framework can achieve better accuracy on linear probing, semi-supervised and {supervised finetuning}, which outperforms the state-of-the-art MSCN by a significant margin. We also show the superiority on downstream tasks of object detection and segmentation. Our source code is available at https://github.com/LightnessOfBeing/MixMask.

Deep classifiers are known to rely on spurious features $\unicode{x2013}$ patterns which are correlated with the target on the training data but not inherently relevant to the learning problem, such as the image backgrounds when classifying the foregrounds. In this paper we evaluate the amount of information about the core (non-spurious) features that can be decoded from the representations learned by standard empirical risk minimization (ERM) and specialized group robustness training. Following recent work on Deep Feature Reweighting (DFR), we evaluate the feature representations by re-training the last layer of the model on a held-out set where the spurious correlation is broken. On multiple vision and NLP problems, we show that the features learned by simple ERM are highly competitive with the features learned by specialized group robustness methods targeted at reducing the effect of spurious correlations. Moreover, we show that the quality of learned feature representations is greatly affected by the design decisions beyond the training method, such as the model architecture and pre-training strategy. On the other hand, we find that strong regularization is not necessary for learning high quality feature representations. Finally, using insights from our analysis, we significantly improve upon the best results reported in the literature on the popular Waterbirds, CelebA hair color prediction and WILDS-FMOW problems, achieving 97%, 92% and 50% worst-group accuracies, respectively.

A key function of auditory cognition is the association of characteristic sounds with their corresponding semantics over time. Humans attempting to discriminate between fine-grained audio categories, often replay the same discriminative sounds to increase their prediction confidence. We propose an end-to-end attention-based architecture that through selective repetition attends over the most discriminative sounds across the audio sequence. Our model initially uses the full audio sequence and iteratively refines the temporal segments replayed based on slot attention. At each playback, the selected segments are replayed using a smaller hop length which represents higher resolution features within these segments. We show that our method can consistently achieve state-of-the-art performance across three audio-classification benchmarks: AudioSet, VGG-Sound, and EPIC-KITCHENS-100.

The automatic synthesis of a policy through reinforcement learning (RL) from a given set of formal requirements depends on the construction of a reward signal and consists of the iterative application of many policy-improvement steps. The synthesis algorithm has to balance target, safety, and comfort requirements in a single objective and to guarantee that the policy improvement does not increase the number of safety-requirements violations, especially for safety-critical applications. In this work, we present a solution to the synthesis problem by solving its two main challenges: reward-shaping from a set of formal requirements and safe policy update. For the former, we propose an automatic reward-shaping procedure, defining a scalar reward signal compliant with the task specification. For the latter, we introduce an algorithm ensuring that the policy is improved in a safe fashion with high-confidence guarantees. We also discuss the adoption of a model-based RL algorithm to efficiently use the collected data and train a model-free agent on the predicted trajectories, where the safety violation does not have the same impact as in the real world. Finally, we demonstrate in standard control benchmarks that the resulting learning procedure is effective and robust even under heavy perturbations of the hyperparameters.

The ability to carve the world into useful abstractions in order to reason about time and space is a crucial component of intelligence. In order to successfully perceive and act effectively using senses we must parse and compress large amounts of information for further downstream reasoning to take place, allowing increasingly complex concepts to emerge. If there is any hope to scale representation learning methods to work with real world scenes and temporal dynamics then there must be a way to learn accurate, concise, and composable abstractions across time. We present the Slot Transformer, an architecture that leverages slot attention, transformers and iterative variational inference on video scene data to infer such representations. We evaluate the Slot Transformer on CLEVRER, Kinetics-600 and CATER datesets and demonstrate that the approach allows us to develop robust modeling and reasoning around complex behaviours as well as scores on these datasets that compare favourably to existing baselines. Finally we evaluate the effectiveness of key components of the architecture, the model's representational capacity and its ability to predict from incomplete input.

The mean field variational inference (MFVI) formulation restricts the general Bayesian inference problem to the subspace of product measures. We present a framework to analyze MFVI algorithms, which is inspired by a similar development for general variational Bayesian formulations. Our approach enables the MFVI problem to be represented in three different manners: a gradient flow on Wasserstein space, a system of Fokker-Planck-like equations and a diffusion process. Rigorous guarantees are established to show that a time-discretized implementation of the coordinate ascent variational inference algorithm in the product Wasserstein space of measures yields a gradient flow in the limit. A similar result is obtained for their associated densities, with the limit being given by a quasi-linear partial differential equation. A popular class of practical algorithms falls in this framework, which provides tools to establish convergence. We hope this framework could be used to guarantee convergence of algorithms in a variety of approaches, old and new, to solve variational inference problems.

An NLP model that understands stories should be able to understand the characters in them. To support the development of neural models for this purpose, we construct a benchmark, Story2Personality. The task is to predict a movie character's MBTI or Big 5 personality types based on the narratives of the character. Experiments show that our task is challenging for the existing text classification models, as none is able to largely outperform random guesses. We further proposed a multi-view model for personality prediction using both verbal and non-verbal descriptions, which gives improvement compared to using only verbal descriptions. The uniqueness and challenges in our dataset call for the development of narrative comprehension techniques from the perspective of understanding characters.

Accurate high-altitude wind forecasting is important for air traffic control. And the large volume of data available for this task makes deep neural network-based models a possibility. However, special methods are required because the data is measured only sparsely: along the main aircraft trajectories and arranged sparsely in space, namely along the main air corridors. Several deep learning approaches have been proposed, and in this work, we show that Transformers can fit this data efficiently and are able to extrapolate coherently from a context set. We show this by an extensive comparison of Transformers to numerous existing deep learning-based baselines in the literature. Besides high-altitude wind forecasting, we compare competing models on other dynamical physical systems, namely those modelled by partial differential equations, in particular the Poisson equation and Darcy Flow equation. For these experiments, in the case where the data is arranged non-regularly in space, Transformers outperform all the other evaluated methods. We also compared them in a more standard setup where the data is arranged on a grid and show that the Transformers are competitive with state-of-the-art methods, even though it does not require regular spacing. The code and datasets of the different experiments will be made publicly available at publication time.

AUCMEDI is a Python-based framework for medical image classification. In this paper, we evaluate the capabilities of AUCMEDI, by applying it to multiple datasets. Datasets were specifically chosen to cover a variety of medical disciplines and imaging modalities. We designed a simple pipeline using Jupyter notebooks and applied it to all datasets. Results show that AUCMEDI was able to train a model with accurate classification capabilities for each dataset: Averaged AUC per dataset range between 0.82 and 1.0, averaged F1 scores range between 0.61 and 1.0. With its high adaptability and strong performance, AUCMEDI proves to be a powerful instrument to build widely applicable neural networks. The notebooks serve as application examples for AUCMEDI.

Scaling language models improves performance but comes with significant computational costs. This paper proposes UL2R, a method that substantially improves existing language models and their scaling curves with a relatively tiny amount of extra compute. The key idea is to continue training a state-of-the-art large language model (e.g., PaLM) on a few more steps with UL2's mixture-of-denoiser objective. We show that, with almost negligible extra computational costs and no new sources of data, we are able to substantially improve the scaling properties of large language models on downstream metrics. In this paper, we continue training PaLM with UL2R, introducing a new set of models at 8B, 62B, and 540B scale which we call U-PaLM. Impressively, at 540B scale, we show an approximately 2x computational savings rate where U-PaLM achieves the same performance as the final PaLM 540B model at around half its computational budget (i.e., saving $\sim$4.4 million TPUv4 hours). We further show that this improved scaling curve leads to 'emergent abilities' on challenging BIG-Bench tasks -- for instance, U-PaLM does much better than PaLM on some tasks or demonstrates better quality at much smaller scale (62B as opposed to 540B). Overall, we show that U-PaLM outperforms PaLM on many few-shot setups, i.e., English NLP tasks (e.g., commonsense reasoning, question answering), reasoning tasks with chain-of-thought (e.g., GSM8K), multilingual tasks (MGSM, TydiQA), MMLU and challenging BIG-Bench tasks. Finally, we provide qualitative examples showing the new capabilities of U-PaLM for single and multi-span infilling.

Concerns about the reproducibility of deep learning research are more prominent than ever, with no clear solution in sight. The relevance of machine learning research can only be improved if we also employ empirical rigor that incorporates reproducibility guidelines, especially so in the medical imaging field. The Medical Imaging with Deep Learning (MIDL) conference has made advancements in this direction by advocating open access, and recently also recommending authors to make their code public - both aspects being adopted by the majority of the conference submissions. This helps the reproducibility of the methods, however, there is currently little or no support for further evaluation of these supplementary material, making them vulnerable to poor quality, which affects the impact of the entire submission. We have evaluated all accepted full paper submissions to MIDL between 2018 and 2022 using established, but slightly adjusted guidelines on reproducibility and the quality of the public repositories. The evaluations show that publishing repositories and using public datasets are becoming more popular, which helps traceability, but the quality of the repositories has not improved over the years, leaving room for improvement in every aspect of designing repositories. Merely 22% of all submissions contain a repository that were deemed repeatable using our evaluations. From the commonly encountered issues during the evaluations, we propose a set of guidelines for machine learning-related research for medical imaging applications, adjusted specifically for future submissions to MIDL.

Current deep learning methods for object recognition are purely data-driven and require a large number of training samples to achieve good results. Due to their sole dependence on image data, these methods tend to fail when confronted with new environments where even small deviations occur. Human perception, however, has proven to be significantly more robust to such distribution shifts. It is assumed that their ability to deal with unknown scenarios is based on extensive incorporation of contextual knowledge. Context can be based either on object co-occurrences in a scene or on memory of experience. In accordance with the human visual cortex which uses context to form different object representations for a seen image, we propose an approach that enhances deep learning methods by using external contextual knowledge encoded in a knowledge graph. Therefore, we extract different contextual views from a generic knowledge graph, transform the views into vector space and infuse it into a DNN. We conduct a series of experiments to investigate the impact of different contextual views on the learned object representations for the same image dataset. The experimental results provide evidence that the contextual views influence the image representations in the DNN differently and therefore lead to different predictions for the same images. We also show that context helps to strengthen the robustness of object recognition models for out-of-distribution images, usually occurring in transfer learning tasks or real-world scenarios.

This study addresses the problem of selecting dynamically, at each time instance, the ``optimal'' p-norm to combat outliers in linear adaptive filtering without any knowledge on the potentially time-varying probability distribution function of the outliers. To this end, an online and data-driven framework is designed via kernel-based reinforcement learning (KBRL). Novel Bellman mappings on reproducing kernel Hilbert spaces (RKHSs) are introduced that need no knowledge on transition probabilities of Markov decision processes, and are nonexpansive with respect to the underlying Hilbertian norm. An approximate policy-iteration framework is finally offered via the introduction of a finite-dimensional affine superset of the fixed-point set of the proposed Bellman mappings. The well-known ``curse of dimensionality'' in RKHSs is addressed by building a basis of vectors via an approximate linear dependency criterion. Numerical tests on synthetic data demonstrate that the proposed framework selects always the ``optimal'' p-norm for the outlier scenario at hand, outperforming at the same time several non-RL and KBRL schemes.

Training a reinforcement learning (RL) agent on a real-world robotics task remains generally impractical due to sample inefficiency. Multi-task RL and meta-RL aim to improve sample efficiency by generalizing over a distribution of related tasks. However, doing so is difficult in practice: In multi-task RL, state of the art methods often fail to outperform a degenerate solution that simply learns each task separately. Hypernetworks are a promising path forward since they replicate the separate policies of the degenerate solution while also allowing for generalization across tasks, and are applicable to meta-RL. However, evidence from supervised learning suggests hypernetwork performance is highly sensitive to the initialization. In this paper, we 1) show that hypernetwork initialization is also a critical factor in meta-RL, and that naive initializations yield poor performance; 2) propose a novel hypernetwork initialization scheme that matches or exceeds the performance of a state-of-the-art approach proposed for supervised settings, as well as being simpler and more general; and 3) use this method to show that hypernetworks can improve performance in meta-RL by evaluating on multiple simulated robotics benchmarks.

We present and analyze the Krylov-Bellman Boosting (KBB) algorithm for policy evaluation in general state spaces. It alternates between fitting the Bellman residual using non-parametric regression (as in boosting), and estimating the value function via the least-squares temporal difference (LSTD) procedure applied with a feature set that grows adaptively over time. By exploiting the connection to Krylov methods, we equip this method with two attractive guarantees. First, we provide a general convergence bound that allows for separate estimation errors in residual fitting and LSTD computation. Consistent with our numerical experiments, this bound shows that convergence rates depend on the restricted spectral structure, and are typically super-linear. Second, by combining this meta-result with sample-size dependent guarantees for residual fitting and LSTD computation, we obtain concrete statistical guarantees that depend on the sample size along with the complexity of the function class used to fit the residuals. We illustrate the behavior of the KBB algorithm for various types of policy evaluation problems, and typically find large reductions in sample complexity relative to the standard approach of fitted value iterationn.

Timely detected anomalies in the chemical technological processes, as well as the earliest detection of the cause of the fault, significantly reduce the production cost in the industrial factories. Data on the state of the technological process and the operation of production equipment are received by a large number of different sensors. To better predict the behavior of the process and equipment, it is necessary not only to consider the behavior of the signals in each sensor separately, but also to take into account their correlation and hidden relationships with each other. Graph-based data representation helps with this. The graph nodes can be represented as data from the different sensors, and the edges can display the influence of these data on each other. In this work, the possibility of applying graph neural networks to the problem of fault diagnosis in a chemical process is studied. It was proposed to construct a graph during the training of graph neural network. This allows to train models on data where the dependencies between the sensors are not known in advance. In this work, several methods for obtaining adjacency matrices were considered, as well as their quality was studied. It has also been proposed to use multiple adjacency matrices in one model. We showed state-of-the-art performance on the fault diagnosis task with the Tennessee Eastman Process dataset. The proposed graph neural networks outperformed the results of recurrent neural networks.

Knowledge-enhanced methods that take advantage of auxiliary knowledge graphs recently emerged in relation extraction, and they surpass traditional text-based relation extraction methods. However, there are no unified public benchmarks that currently involve evidence sentences and knowledge graphs for knowledge-enhanced relation extraction. To combat these issues, we propose KGRED, a knowledge graph enhanced relation extraction dataset with features as follows: (1) the benchmarks are based on widely-used distantly supervised relation extraction datasets; (2) we refine these existing datasets to improve the data quality, and we also construct auxiliary knowledge graphs for these existing datasets through entity linking to support knowledge-enhanced relation extraction tasks; (3) with the new benchmarks we curated, we build baselines in two popular relation extraction settings including sentence-level and bag-level relation extraction, and we also make comparisons among the latest knowledge-enhanced relation extraction methods. KGRED provides high-quality relation extraction datasets with auxiliary knowledge graphs for evaluating the performance of knowledge-enhanced relation extraction methods. Meanwhile, our experiments on KGRED reveal the influence of knowledge graph information on relation extraction tasks.

We propose a generalization of the synthetic controls and synthetic interventions methodology to incorporate network interference. We consider the estimation of unit-specific treatment effects from panel data where there are spillover effects across units and in the presence of unobserved confounding. Key to our approach is a novel latent factor model that takes into account network interference and generalizes the factor models typically used in panel data settings. We propose an estimator, "network synthetic interventions", and show that it consistently estimates the mean outcomes for a unit under an arbitrary sequence of treatments for itself and its neighborhood, given certain observation patterns hold in the data. We corroborate our theoretical findings with simulations.

We introduce Breaking Bad, a large-scale dataset of fractured objects. Our dataset consists of over one million fractured objects simulated from ten thousand base models. The fracture simulation is powered by a recent physically based algorithm that efficiently generates a variety of fracture modes of an object. Existing shape assembly datasets decompose objects according to semantically meaningful parts, effectively modeling the construction process. In contrast, Breaking Bad models the destruction process of how a geometric object naturally breaks into fragments. Our dataset serves as a benchmark that enables the study of fractured object reassembly and presents new challenges for geometric shape understanding. We analyze our dataset with several geometry measurements and benchmark three state-of-the-art shape assembly deep learning methods under various settings. Extensive experimental results demonstrate the difficulty of our dataset, calling on future research in model designs specifically for the geometric shape assembly task. We host our dataset at https://breaking-bad-dataset.github.io/.

Spectral Graph Convolutional Networks (spectral GCNNs), a powerful tool for analyzing and processing graph data, typically apply frequency filtering via Fourier transform to obtain representations with selective information. Although research shows that spectral GCNNs can be enhanced by framelet-based filtering, the massive majority of such research only considers undirected graphs. In this paper, we introduce Framelet-MagNet, a magnetic framelet-based spectral GCNN for directed graphs (digraphs). The model applies the framelet transform to digraph signals to form a more sophisticated representation for filtering. Digraph framelets are constructed with the complex-valued magnetic Laplacian, simultaneously leading to signal processing in both real and complex domains. We empirically validate the predictive power of Framelet-MagNet over a range of state-of-the-art models in node classification, link prediction, and denoising.

Many classification problems consider classes that form a hierarchy. Classifiers that are aware of this hierarchy may be able to make confident predictions at a coarse level despite being uncertain at the fine-grained level. While it is generally possible to vary the granularity of predictions using a threshold at inference time, most contemporary work considers only leaf-node prediction, and almost no prior work has compared methods at multiple operating points. We present an efficient algorithm to produce operating characteristic curves for any method that assigns a score to every class in the hierarchy. Applying this technique to evaluate existing methods reveals that top-down classifiers are dominated by a naive flat softmax classifier across the entire operating range. We further propose two novel loss functions and show that a soft variant of the structured hinge loss is able to significantly outperform the flat baseline. Finally, we investigate the poor accuracy of top-down classifiers and demonstrate that they perform relatively well on unseen classes. Code is available online at https://github.com/jvlmdr/hiercls.

Graph Neural Networks (GNNs) have become increasingly ubiquitous in numerous applications and systems, necessitating explanations of their predictions, especially when making critical decisions. However, explaining GNNs is challenging due to the complexity of graph data and model execution. Despite additional computational costs, post-hoc explanation approaches have been widely adopted due to the generality of their architectures. Intrinsically interpretable models provide instant explanations but are usually model-specific, which can only explain particular GNNs. Therefore, we propose a novel GNN explanation framework named SCALE, which is general and fast for explaining predictions. SCALE trains multiple specialty learners to explain GNNs since constructing one powerful explainer to examine attributions of interactions in input graphs is complicated. In training, a black-box GNN model guides learners based on an online knowledge distillation paradigm. In the explanation phase, explanations of predictions are provided by multiple explainers corresponding to trained learners. Specifically, edge masking and random walk with restart procedures are executed to provide structural explanations for graph-level and node-level predictions, respectively. A feature attribution module provides overall summaries and instance-level feature contributions. We compare SCALE with state-of-the-art baselines via quantitative and qualitative experiments to prove its explanation correctness and execution performance. We also conduct a series of ablation studies to understand the strengths and weaknesses of the proposed framework.

Spectroscopic data may often contain unwanted extrinsic signals. For example, in ARPES experiment, a wire mesh is typically placed in front of the CCD to block stray photo-electrons, but could cause a grid-like structure in the spectra during quick measurement mode. In the past, this structure was often removed using the mathematical Fourier filtering method by erasing the periodic structure. However, this method may lead to information loss and vacancies in the spectra because the grid structure is not strictly linearly superimposed. Here, we propose a deep learning method to effectively overcome this problem. Our method takes advantage of the self-correlation information within the spectra themselves and can greatly optimize the quality of the spectra while removing the grid structure and noise simultaneously. It has the potential to be extended to all spectroscopic measurements to eliminate other extrinsic signals and enhance the spectral quality based on the self-correlation of the spectra solely.

A natural goal in multiagent learning besides finding equilibria is to learn rationalizable behavior, where players learn to avoid iteratively dominated actions. However, even in the basic setting of multiplayer general-sum games, existing algorithms require a number of samples exponential in the number of players to learn rationalizable equilibria under bandit feedback. This paper develops the first line of efficient algorithms for learning rationalizable Coarse Correlated Equilibria (CCE) and Correlated Equilibria (CE) whose sample complexities are polynomial in all problem parameters including the number of players. To achieve this result, we also develop a new efficient algorithm for the simpler task of finding one rationalizable action profile (not necessarily an equilibrium), whose sample complexity substantially improves over the best existing results of Wu et al. (2021). Our algorithms incorporate several novel techniques to guarantee rationalizability and no (swap-)regret simultaneously, including a correlated exploration scheme and adaptive learning rates, which may be of independent interest. We complement our results with a sample complexity lower bound showing the sharpness of our guarantees.

We introduce an $r-$adaptive algorithm to solve Partial Differential Equations using a Deep Neural Network. The proposed method restricts to tensor product meshes and optimizes the boundary node locations in one dimension, from which we build two- or three-dimensional meshes. The method allows the definition of fixed interfaces to design conforming meshes, and enables changes in the topology, i.e., some nodes can jump across fixed interfaces. The method simultaneously optimizes the node locations and the PDE solution values over the resulting mesh. To numerically illustrate the performance of our proposed $r-$adaptive method, we apply it in combination with a collocation method, a Least Squares Method, and a Deep Ritz Method. We focus on the latter to solve one- and two-dimensional problems whose solutions are smooth, singular, and/or exhibit strong gradients.

Since the 2004 DARPA Grand Challenge, the autonomous driving technology has witnessed nearly two decades of rapid development. Particularly, in recent years, with the application of new sensors and deep learning technologies extending to the autonomous field, the development of autonomous driving technology has continued to make breakthroughs. Thus, many carmakers and high-tech giants dedicated to research and system development of autonomous driving. However, as the foundation of autonomous driving, the deep learning technology faces many new security risks. The academic community has proposed deep learning countermeasures against the adversarial examples and AI backdoor, and has introduced them into the autonomous driving field for verification. Deep learning security matters to autonomous driving system security, and then matters to personal safety, which is an issue that deserves attention and research.This paper provides an summary of the concepts, developments and recent research in deep learning security technologies in autonomous driving. Firstly, we briefly introduce the deep learning framework and pipeline in the autonomous driving system, which mainly include the deep learning technologies and algorithms commonly used in this field. Moreover, we focus on the potential security threats of the deep learning based autonomous driving system in each functional layer in turn. We reviews the development of deep learning attack technologies to autonomous driving, investigates the State-of-the-Art algorithms, and reveals the potential risks. At last, we provides an outlook on deep learning security in the autonomous driving field and proposes recommendations for building a safe and trustworthy autonomous driving system.

In the machine learning literature stochastic gradient descent has recently been widely discussed for its purported implicit regularization properties. Much of the theory, that attempts to clarify the role of noise in stochastic gradient algorithms, has widely approximated stochastic gradient descent by a stochastic differential equation with Gaussian noise. We provide a novel rigorous theoretical justification for this practice that showcases how the Gaussianity of the noise arises naturally.

The Bayesian transformed Gaussian process (BTG) model, proposed by Kedem and Oliviera, is a fully Bayesian counterpart to the warped Gaussian process (WGP) and marginalizes out a joint prior over input warping and kernel hyperparameters. This fully Bayesian treatment of hyperparameters often provides more accurate regression estimates and superior uncertainty propagation, but is prohibitively expensive. The BTG posterior predictive distribution, itself estimated through high-dimensional integration, must be inverted in order to perform model prediction. To make the Bayesian approach practical and comparable in speed to maximum-likelihood estimation (MLE), we propose principled and fast techniques for computing with BTG. Our framework uses doubly sparse quadrature rules, tight quantile bounds, and rank-one matrix algebra to enable both fast model prediction and model selection. These scalable methods allow us to regress over higher-dimensional datasets and apply BTG with layered transformations that greatly improve its expressibility. We demonstrate that BTG achieves superior empirical performance over MLE-based models.

Current adversarial attacks for motion estimation (optical flow) optimize small per-pixel perturbations, which are unlikely to appear in the real world. In contrast, we exploit a real-world weather phenomenon for a novel attack with adversarially optimized snow. At the core of our attack is a differentiable renderer that consistently integrates photorealistic snowflakes with realistic motion into the 3D scene. Through optimization we obtain adversarial snow that significantly impacts the optical flow while being indistinguishable from ordinary snow. Surprisingly, the impact of our novel attack is largest on methods that previously showed a high robustness to small L_p perturbations.

Causal discovery aims to recover causal structures generating the observational data. Despite its success in certain problems, in many real-world scenarios the observed variables are not the target variables of interest, but the imperfect measures of the target variables. Causal discovery under measurement error aims to recover the causal graph among unobserved target variables from observations made with measurement error. We consider a specific formulation of the problem, where the unobserved target variables follow a linear non-Gaussian acyclic model, and the measurement process follows the random measurement error model. Existing methods on this formulation rely on non-scalable over-complete independent component analysis (OICA). In this work, we propose the Transformed Independent Noise (TIN) condition, which checks for independence between a specific linear transformation of some measured variables and certain other measured variables. By leveraging the non-Gaussianity and higher-order statistics of data, TIN is informative about the graph structure among the unobserved target variables. By utilizing TIN, the ordered group decomposition of the causal model is identifiable. In other words, we could achieve what once required OICA to achieve by only conducting independence tests. Experimental results on both synthetic and real-world data demonstrate the effectiveness and reliability of our method.

We introduce a modified version of the excess risk, which can be used to obtain tighter, fast-rate PAC-Bayesian generalisation bounds. This modified excess risk leverages information about the relative hardness of data examples to reduce the variance of its empirical counterpart, tightening the bound. We combine this with a new bound for $[-1, 1]$-valued (and potentially non-independent) signed losses, which is more favourable when they empirically have low variance around $0$. The primary new technical tool is a novel result for sequences of interdependent random vectors which may be of independent interest. We empirically evaluate these new bounds on a number of real-world datasets.

As a basic research problem for building effective recommender systems, post-click conversion rate (CVR) estimation has long been plagued by sample selection bias and data sparsity issues. To address the data sparsity issue, prevalent methods based on entire space multi-task model leverage the sequential pattern of user actions, i.e. exposure $\rightarrow$ click $\rightarrow$ conversion to construct auxiliary learning tasks. However, they still fall short of guaranteeing the unbiasedness of CVR estimates. This paper theoretically demonstrates two defects of these entire space multi-task models: (1) inherent estimation bias (IEB) for CVR estimation, where the CVR estimate is inherently higher than the ground truth; (2) potential independence priority (PIP) for CTCVR estimation, where the causality from click to conversion might be overlooked. This paper further proposes a principled method named entire space counterfactual multi-task model (ESCM$^2$), which employs a counterfactual risk minimizer to handle both IEB and PIP issues at once. To demonstrate the effectiveness of the proposed method, this paper explores its parameter tuning in practice, derives its analytic properties, and showcases its effectiveness in industrial CVR estimation, where ESCM$^2$ can effectively alleviate the intrinsic IEB and PIP issues and outperform baseline models.

Submodular functions and variants, through their ability to characterize diversity and coverage, have emerged as a key tool for data selection and summarization. Many recent approaches to learn submodular functions suffer from limited expressiveness. In this work, we propose FLEXSUBNET, a family of flexible neural models for both monotone and non-monotone submodular functions. To fit a latent submodular function from (set, value) observations, FLEXSUBNET applies a concave function on modular functions in a recursive manner. We do not draw the concave function from a restricted family, but rather learn from data using a highly expressive neural network that implements a differentiable quadrature procedure. Such an expressive neural model for concave functions may be of independent interest. Next, we extend this setup to provide a novel characterization of monotone \alpha-submodular functions, a recently introduced notion of approximate submodular functions. We then use this characterization to design a novel neural model for such functions. Finally, we consider learning submodular set functions under distant supervision in the form of (perimeter-set, high-value-subset) pairs. This yields a novel subset selection method based on an order-invariant, yet greedy sampler built around the above neural set functions. Our experiments on synthetic and real data show that FLEXSUBNET outperforms several baselines.

We systematically study the spectrum of kernel-based graph Laplacian (GL) constructed from high-dimensional and noisy random point cloud in the nonnull setup. The problem is motived by studying the model when the clean signal is sampled from a manifold that is embedded in a low-dimensional Euclidean subspace, and corrupted by high-dimensional noise. We quantify how the signal and noise interact over different regions of signal-to-noise ratio (SNR), and report the resulting peculiar spectral behavior of GL. In addition, we explore the impact of chosen kernel bandwidth on the spectrum of GL over different regions of SNR, which lead to an adaptive choice of kernel bandwidth that coincides with the common practice in real data. This result paves the way to a theoretical understanding of how practitioners apply GL when the dataset is noisy.

Graph Neural Networks (GNNs) are attracting growing attention due to their effectiveness and flexibility in modeling a variety of graph-structured data. Exiting GNN architectures usually adopt simple pooling operations (eg. sum, average, max) when aggregating messages from a local neighborhood for updating node representation or pooling node representations from the entire graph to compute the graph representation. Though simple and effective, these linear operations do not model high-order non-linear interactions among nodes. We propose the Tensorized Graph Neural Network (tGNN), a highly expressive GNN architecture relying on tensor decomposition to model high-order non-linear node interactions. tGNN leverages the symmetric CP decomposition to efficiently parameterize permutation-invariant multilinear maps for modeling node interactions. Theoretical and empirical analysis on both node and graph classification tasks show the superiority of tGNN over competitive baselines. In particular, tGNN achieves the most solid results on two OGB node classification datasets and one OGB graph classification dataset.

The COVID-19 pandemic has posed a heavy burden to the healthcare system worldwide and caused huge social disruption and economic loss. Many deep learning models have been proposed to conduct clinical predictive tasks such as mortality prediction for COVID-19 patients in intensive care units using Electronic Health Record (EHR) data. Despite their initial success in certain clinical applications, there is currently a lack of benchmarking results to achieve a fair comparison so that we can select the optimal model for clinical use. Furthermore, there is a discrepancy between the formulation of traditional prediction tasks and real-world clinical practice in intensive care. To fill these gaps, we propose two clinical prediction tasks, Outcome-specific length-of-stay prediction and Early mortality prediction for COVID-19 patients in intensive care units. The two tasks are adapted from the naive length-of-stay and mortality prediction tasks to accommodate the clinical practice for COVID-19 patients. We propose fair, detailed, open-source data-preprocessing pipelines and evaluate 17 state-of-the-art predictive models on two tasks, including 5 machine learning models, 6 basic deep learning models and 6 deep learning predictive models specifically designed for EHR data. We provide benchmarking results using data from two real-world COVID-19 EHR datasets. One dataset is publicly available without needing any inquiry and another dataset can be accessed on request. We provide fair, reproducible benchmarking results for two tasks. We deploy all experiment results and models on an online platform. We also allow clinicians and researchers to upload their data to the platform and get quick prediction results using our trained models. We hope our efforts can further facilitate deep learning and machine learning research for COVID-19 predictive modeling.

When robots enter everyday human environments, they need to understand their tasks and how they should perform those tasks. To encode these, reward functions, which specify the objective of a robot, are employed. However, designing reward functions can be extremely challenging for complex tasks and environments. A promising approach is to learn reward functions from humans. Recently, several robot learning works embrace this approach and leverage human demonstrations to learn the reward functions. Known as inverse reinforcement learning, this approach relies on a fundamental assumption: humans can provide near-optimal demonstrations to the robot. Unfortunately, this is rarely the case: human demonstrations to the robot are often suboptimal due to various reasons, e.g., difficulty of teleoperation, robot having high degrees of freedom, or humans' cognitive limitations. This thesis is an attempt towards learning reward functions from human users by using other, more reliable data modalities. Specifically, we study how reward functions can be learned using comparative feedback, in which the human user compares multiple robot trajectories instead of (or in addition to) providing demonstrations. To this end, we first propose various forms of comparative feedback, e.g., pairwise comparisons, best-of-many choices, rankings, scaled comparisons; and describe how a robot can use these various forms of human feedback to infer a reward function, which may be parametric or non-parametric. Next, we propose active learning techniques to enable the robot to ask for comparison feedback that optimizes for the expected information that will be gained from that user feedback. Finally, we demonstrate the applicability of our methods in a wide variety of domains, ranging from autonomous driving simulations to home robotics, from standard reinforcement learning benchmarks to lower-body exoskeletons.

The alfalfa crop is globally important as livestock feed, so highly efficient planting and harvesting could benefit many industries, especially as the global climate changes and traditional methods become less accurate. Recent work using machine learning (ML) to predict yields for alfalfa and other crops has shown promise. Previous efforts used remote sensing, weather, planting, and soil data to train machine learning models for yield prediction. However, while remote sensing works well, the models require large amounts of data and cannot make predictions until the harvesting season begins. Using weather and planting data from alfalfa variety trials in Kentucky and Georgia, our previous work compared feature selection techniques to find the best technique and best feature set. In this work, we trained a variety of machine learning models, using cross validation for hyperparameter optimization, to predict biomass yields, and we showed better accuracy than similar work that employed more complex techniques. Our best individual model was a random forest with a mean absolute error of 0.081 tons/acre and R{$^2$} of 0.941. Next, we expanded this dataset to include Wisconsin and Mississippi, and we repeated our experiments, obtaining a higher best R{$^2$} of 0.982 with a regression tree. We then isolated our testing datasets by state to explore this problem's eligibility for domain adaptation (DA), as we trained on multiple source states and tested on one target state. This Trivial DA (TDA) approach leaves plenty of room for improvement through exploring more complex DA techniques in forthcoming work.

The thighbone is the largest bone supporting the lower body. If the thighbone fracture is not treated in time, it will lead to lifelong inability to walk. Correct diagnosis of thighbone disease is very important in orthopedic medicine. Deep learning is promoting the development of fracture detection technology. However, the existing computer aided diagnosis (CAD) methods baesd on deep learning rely on a large number of manually labeled data, and labeling these data costs a lot of time and energy. Therefore, we develop a object detection method with limited labeled image quantity and apply it to the thighbone fracture localization. In this work, we build a semi-supervised object detection(SSOD) framework based on single-stage detector, which including three modules: adaptive difficult sample oriented (ADSO) module, Fusion Box and deformable expand encoder (Dex encoder). ADSO module takes the classification score as the label reliability evaluation criterion by weighting, Fusion Box is designed to merge similar pseudo boxes into a reliable box for box regression and Dex encoder is proposed to enhance the adaptability of image augmentation. The experiment is conducted on the thighbone fracture dataset, which includes 3484 training thigh fracture images and 358 testing thigh fracture images. The experimental results show that the proposed method achieves the state-of-the-art AP in thighbone fracture detection at different labeled data rates, i.e. 1%, 5% and 10%. Besides, we use full data to achieve knowledge distillation, our method achieves 86.2% AP50 and 52.6% AP75.

When applying differential privacy to sensitive data, a common way of getting improved performance is to use external information such as other sensitive data, public data, or human priors. We propose to use the algorithms with predictions framework -- previously applied largely to improve time complexity or competitive ratios -- as a powerful way of designing and analyzing privacy-preserving methods that can take advantage of such external information to improve utility. For four important tasks -- quantile release, its extension to multiple quantiles, covariance estimation, and data release -- we construct prediction-dependent differentially private methods whose utility scales with natural measures of prediction quality. The analyses enjoy several advantages, including minimal assumptions about the data, natural ways of adding robustness to noisy predictions, and novel "meta" algorithms that can learn predictions from other (potentially sensitive) data. Overall, our results demonstrate how to enable differentially private algorithms to make use of and learn noisy predictions, which holds great promise for improving utility while preserving privacy across a variety of tasks.

The graph retrieval problem is to search in a large corpus of graphs for ones that are most similar to a query graph. A common consideration for scoring similarity is the maximum common subgraph (MCS) between the query and corpus graphs, usually counting the number of common edges (i.e., MCES). In some applications, it is also desirable that the common subgraph be connected, i.e., the maximum common connected subgraph (MCCS). Finding exact MCES and MCCS is intractable, but may be unnecessary if ranking corpus graphs by relevance is the goal. We design fast and trainable neural functions that approximate MCES and MCCS well. Late interaction methods compute dense representations for the query and corpus graph separately, and compare these representations using simple similarity functions at the last stage, leading to highly scalable systems. Early interaction methods combine information from both graphs right from the input stages, are usually considerably more accurate, but slower. We propose both late and early interaction neural MCES and MCCS formulations. They are both based on a continuous relaxation of a node alignment matrix between query and corpus nodes. For MCCS, we propose a novel differentiable network for estimating the size of the largest connected common subgraph. Extensive experiments with seven data sets show that our proposals are superior among late interaction models in terms of both accuracy and speed. Our early interaction models provide accuracy competitive with the state of the art, at substantially greater speeds.

Accurately extracting driving events is the way to maximize computational efficiency and anomaly detection performance in the tire frictional nose-based anomaly detection task. This study proposes a concise and highly useful method for improving the precision of the event extraction that is hindered by extra noise such as wind noise, which is difficult to characterize clearly due to its randomness. The core of the proposed method is based on the identification of the road friction sound corresponding to the frequency of interest and removing the opposite characteristics with several frequency filters. Our method enables precision maximization of driving event extraction while improving anomaly detection performance by an average of 8.506%. Therefore, we conclude our method is a practical solution suitable for road surface anomaly detection purposes in outdoor edge computing environments.

We apply the PAC-Bayes theory to the setting of learning-to-optimize. To the best of our knowledge, we present the first framework to learn optimization algorithms with provable generalization guarantees (PAC-bounds) and explicit trade-off between a high probability of convergence and a high convergence speed. Even in the limit case, where convergence is guaranteed, our learned optimization algorithms provably outperform related algorithms based on a (deterministic) worst-case analysis. Our results rely on PAC-Bayes bounds for general, unbounded loss-functions based on exponential families. By generalizing existing ideas, we reformulate the learning procedure into a one-dimensional minimization problem and study the possibility to find a global minimum, which enables the algorithmic realization of the learning procedure. As a proof-of-concept, we learn hyperparameters of standard optimization algorithms to empirically underline our theory.

The COVID-19 pandemic has affected countries across the world, demanding drastic public health policies to mitigate the spread of infection, leading to economic crisis as a collateral damage. In this work, we investigated the impact of human mobility (described via international commercial flights) on COVID-19 infection dynamics at the global scale. For this, we developed a graph neural network-based framework referred to as Dynamic Connectivity GraphSAGE (DCSAGE), which operates over spatiotemporal graphs and is well-suited for dynamically changing adjacency information. To obtain insights on the relative impact of different geographical locations, due to their associated air traffic, on the evolution of the pandemic, we conducted local sensitivity analysis on our model through node perturbation experiments. From our analyses, we identified Western Europe, North America, and Middle East as the leading geographical locations fueling the pandemic, attributed to the enormity of air traffic originating or transiting through these regions. We used these observations to identify tangible air traffic reduction strategies that can have a high impact on controlling the pandemic, with minimal interference to human mobility. Our work provides a robust deep learning-based tool to study global pandemics and is of key relevance to policy makers to take informed decisions regarding air traffic restrictions during future outbreaks.

Decentralized learning has been advocated and widely deployed to make efficient use of distributed datasets, with an extensive focus on supervised learning (SL) problems. Unfortunately, the majority of real-world data are unlabeled and can be highly heterogeneous across sources. In this work, we carefully study decentralized learning with unlabeled data through the lens of self-supervised learning (SSL), specifically contrastive visual representation learning. We study the effectiveness of a range of contrastive learning algorithms under decentralized learning settings, on relatively large-scale datasets including ImageNet-100, MS-COCO, and a new real-world robotic warehouse dataset. Our experiments show that the decentralized SSL (Dec-SSL) approach is robust to the heterogeneity of decentralized datasets, and learns useful representation for object classification, detection, and segmentation tasks. This robustness makes it possible to significantly reduce communication and reduce the participation ratio of data sources with only minimal drops in performance. Interestingly, using the same amount of data, the representation learned by Dec-SSL can not only perform on par with that learned by centralized SSL which requires communication and excessive data storage costs, but also sometimes outperform representations extracted from decentralized SL which requires extra knowledge about the data labels. Finally, we provide theoretical insights into understanding why data heterogeneity is less of a concern for Dec-SSL objectives, and introduce feature alignment and clustering techniques to develop a new Dec-SSL algorithm that further improves the performance, in the face of highly non-IID data. Our study presents positive evidence to embrace unlabeled data in decentralized learning, and we hope to provide new insights into whether and why decentralized SSL is effective.

This paper addresses the task of contextual translation using multi-segment models. Specifically we show that increasing model capacity further pushes the limits of this approach and that deeper models are more suited to capture context dependencies. Furthermore, improvements observed with larger models can be transferred to smaller models using knowledge distillation. Our experiments show that this approach achieves competitive performance across several languages and benchmarks, without additional language-specific tuning and task specific architectures.

In deep metric learning, the Triplet Loss has emerged as a popular method to learn many computer vision and natural language processing tasks such as facial recognition, object detection, and visual-semantic embeddings. One issue that plagues the Triplet Loss is network collapse, an undesirable phenomenon where the network projects the embeddings of all data onto a single point. Researchers predominately solve this problem by using triplet mining strategies. While hard negative mining is the most effective of these strategies, existing formulations lack strong theoretical justification for their empirical success. In this paper, we utilize the mathematical theory of isometric approximation to show an equivalence between the Triplet Loss sampled by hard negative mining and an optimization problem that minimizes a Hausdorff-like distance between the neural network and its ideal counterpart function. This provides the theoretical justifications for hard negative mining's empirical efficacy. In addition, our novel application of the isometric approximation theorem provides the groundwork for future forms of hard negative mining that avoid network collapse. Our theory can also be extended to analyze other Euclidean space-based metric learning methods like Ladder Loss or Contrastive Learning.

Gaussian processes are Bayesian non-parametric models used in many areas. In this work, we propose a Non-stationary Heteroscedastic Gaussian process model which can be learned with gradient-based techniques. We demonstrate the interpretability of the proposed model by separating the overall uncertainty into aleatoric (irreducible) and epistemic (model) uncertainty. We illustrate the usability of derived epistemic uncertainty on active learning problems. We demonstrate the efficacy of our model with various ablations on multiple datasets.

Applying reinforcement learning (RL) to sparse reward domains is notoriously challenging due to insufficient guiding signals. Common techniques for addressing such domains include (1) learning from demonstrations and (2) curriculum learning. While these two approaches have been studied in detail, they have rarely been considered together. This paper aims to do so by introducing a principled task phasing approach that uses demonstrations to automatically generate a curriculum sequence. Using inverse RL from (suboptimal) demonstrations we define a simple initial task. Our task phasing approach then provides a framework to gradually increase the complexity of the task all the way to the target task, while retuning the RL agent in each phasing iteration. Two approaches for phasing are considered: (1) gradually increasing the proportion of time steps an RL agent is in control, and (2) phasing out a guiding informative reward function. We present conditions that guarantee the convergence of these approaches to an optimal policy. Experimental results on 3 sparse reward domains demonstrate that our task phasing approaches outperform state-of-the-art approaches with respect to their asymptotic performance.

Out-of-distribution (OOD) detection aims to discern outliers from the intended data distribution, which is crucial to maintaining high reliability and a good user experience. Most recent studies in OOD detection utilize the information from a single representation that resides in the penultimate layer to determine whether the input is anomalous or not. Although such a method is straightforward, the potential of diverse information in the intermediate layers is overlooked. In this paper, we propose a novel framework based on contrastive learning that encourages intermediate features to learn layer-specialized representations and assembles them implicitly into a single representation to absorb rich information in the pre-trained language model. Extensive experiments in various intent classification and OOD datasets demonstrate that our approach is significantly more effective than other works.

In this paper, we investigate a novel problem of building contextual bandits in the vertical federated setting, i.e., contextual information is vertically distributed over different departments. This problem remains largely unexplored in the research community. To this end, we carefully design a customized encryption scheme named orthogonal matrix-based mask mechanism(O3M) for encrypting local contextual information while avoiding expensive conventional cryptographic techniques. We further apply the mechanism to two commonly-used bandit algorithms, LinUCB and LinTS, and instantiate two practical protocols for online recommendation under the vertical federated setting. The proposed protocols can perfectly recover the service quality of centralized bandit algorithms while achieving a satisfactory runtime efficiency, which is theoretically proved and analyzed in this paper. By conducting extensive experiments on both synthetic and real-world datasets, we show the superiority of the proposed method in terms of privacy protection and recommendation performance.

Policy Optimization (PO) algorithms have been proven particularly suited to handle the high-dimensionality of real-world continuous control tasks. In this context, Trust Region Policy Optimization methods represent a popular approach to stabilize the policy updates. These usually rely on the Kullback-Leibler (KL) divergence to limit the change in the policy. The Wasserstein distance represents a natural alternative, in place of the KL divergence, to define trust regions or to regularize the objective function. However, state-of-the-art works either resort to its approximations or do not provide an algorithm for continuous state-action spaces, reducing the applicability of the method. In this paper, we explore optimal transport discrepancies (which include the Wasserstein distance) to define trust regions, and we propose a novel algorithm - Optimal Transport Trust Region Policy Optimization (OT-TRPO) - for continuous state-action spaces. We circumvent the infinite-dimensional optimization problem for PO by providing a one-dimensional dual reformulation for which strong duality holds. We then analytically derive the optimal policy update given the solution of the dual problem. This way, we bypass the computation of optimal transport costs and of optimal transport maps, which we implicitly characterize by solving the dual formulation. Finally, we provide an experimental evaluation of our approach across various control tasks. Our results show that optimal transport discrepancies can offer an advantage over state-of-the-art approaches.

Topology optimization (TO) is a method of deriving an optimal design that satisfies a given load and boundary conditions within a design domain. This method enables effective design without initial design, but has been limited in use due to high computational costs. At the same time, machine learning (ML) methodology including deep learning has made great progress in the 21st century, and accordingly, many studies have been conducted to enable effective and rapid optimization by applying ML to TO. Therefore, this study reviews and analyzes previous research on ML-based TO (MLTO). Two different perspectives of MLTO are used to review studies: (1) TO and (2) ML perspectives. The TO perspective addresses "why" to use ML for TO, while the ML perspective addresses "how" to apply ML to TO. In addition, the limitations of current MLTO research and future research directions are examined.

\textit{Dictionary learning}, the problem of recovering a sparsely used matrix $\mathbf{D} \in \mathbb{R}^{M \times K}$ and $N$ independent $K \times 1$ $s$-sparse vectors $\mathbf{X} \in \mathbb{R}^{K \times N}$ from samples of the form $\mathbf{Y} = \mathbf{D}\mathbf{X}$, is of increasing importance to applications in signal processing and data science. Early papers on provable dictionary learning identified that one can detect whether two samples $\mathbf{y}_i, \mathbf{y}_j$ share a common dictionary element by testing if their absolute inner product (correlation) exceeds a certain threshold: $|\left\langle \mathbf{y}_i, \mathbf{y}_j \right\rangle| > \tau$. These correlation-based methods work well when sparsity is small, but suffer from declining performance when sparsity grows faster than $\sqrt{M}$; as a result, such methods were abandoned in the search for dictionary learning algorithms when sparsity is nearly linear in $M$. In this paper, we revisit correlation-based dictionary learning. Instead of seeking to recover individual dictionary atoms, we employ a spectral method to recover the subspace spanned by the dictionary atoms in the support of each sample. This approach circumvents the primary challenge encountered by previous correlation methods, namely that when sharing information between two samples it is difficult to tell \textit{which} dictionary element the two samples share. We prove that under a suitable random model the resulting algorithm recovers dictionaries in polynomial time for sparsity linear in $M$ up to log factors. Our results improve on the best known methods by achieving a decaying error bound in dimension $M$; the best previously known results for the overcomplete ($K > M$) setting achieve polynomial time linear regime only for constant error bounds. Numerical simulations confirm our results.

There has been a recent surge in the field of Explainable AI (XAI) which tackles the problem of providing insights into the behavior of black-box machine learning models. Within this field, \textit{feature attribution} encompasses methods which assign relevance scores to input features and visualize them as a heatmap. Designing flexible accelerators for multiple such algorithms is challenging since the hardware mapping of these algorithms has not been studied yet. In this work, we first analyze the dataflow of gradient backpropagation based feature attribution algorithms to determine the resource overhead required over inference. The gradient computation is optimized to minimize the memory overhead. Second, we develop a High-Level Synthesis (HLS) based configurable FPGA design that is targeted for edge devices and supports three feature attribution algorithms. Tile based computation is employed to maximally use on-chip resources while adhering to the resource constraints. Representative CNNs are trained on CIFAR-10 dataset and implemented on multiple Xilinx FPGAs using 16-bit fixed-point precision demonstrating flexibility of our library. Finally, through efficient reuse of allocated hardware resources, our design methodology demonstrates a pathway to repurpose inference accelerators to support feature attribution with minimal overhead, thereby enabling real-time XAI on the edge.

Deep generative models have emerged as a popular machine learning-based approach for inverse design problems in the life sciences. However, these problems often require sampling new designs that satisfy multiple properties of interest in addition to learning the data distribution. This multi-objective optimization becomes more challenging when properties are independent or orthogonal to each other. In this work, we propose a Pareto-compositional energy-based model (pcEBM), a framework that uses multiple gradient descent for sampling new designs that adhere to various constraints in optimizing distinct properties. We demonstrate its ability to learn non-convex Pareto fronts and generate sequences that simultaneously satisfy multiple desired properties across a series of real-world antibody design tasks.

In powder diffraction data analysis, phase identification is the process of determining the crystalline phases in a sample using its characteristic Bragg peaks. For multiphasic spectra, we must also determine the relative weight fraction of each phase in the sample. Machine Learning algorithms (e.g., Artificial Neural Networks) have been applied to perform such difficult tasks in powder diffraction analysis, but typically require a significant number of training samples for acceptable performance. We have developed an approach that performs well even with a small number of training samples. We apply a fixed-point iteration algorithm on the labelled training samples to estimate monophasic spectra. Then, given an unknown sample spectrum, we again use a fixed-point iteration algorithm to determine the weighted combination of monophase spectra that best approximates the unknown sample spectrum. These weights are the desired phase fractions for the sample. We compare our approach with several traditional Machine Learning algorithms.

As we enter the era of machine learning characterized by an overabundance of data, discovery, organization, and interpretation of the data in an \textit{unsupervised} manner becomes a critical need. One promising approach to this endeavour is the problem of \textit{Disentanglement}, which aims at learning the underlying generative latent factors, called the factors of variation, of the data and encoding them in disjoint latent representations. Recent advances have made efforts to solve this problem for synthetic datasets generated by a fixed set of independent factors of variation. Here, we propose to extend this to real-world datasets with a countable number of factors of variations. We propose a novel framework which augments the latent space of a Variational Autoencoders with a disentangled space and is trained using a Wake-Sleep-inspired two-step algorithm for unsupervised disentanglement. Our network learns to disentangle interpretable, independent factors from the data ``one at a time", and encode it in different dimensions of the disentangled latent space, while making no prior assumptions about the number of factors or their joint distribution. We demonstrate its quantitative and qualitative effectiveness by evaluating the latent representations learned on two synthetic benchmark datasets; DSprites and 3DShapes and on a real datasets CelebA.

Model-based and learning-based methods are two major types of methodologies to model car following behaviors. Model-based methods describe the car-following behaviors with explicit mathematical equations, while learning-based methods focus on getting a mapping between inputs and outputs. Both types of methods have advantages and weaknesses. Meanwhile, most car-following models are generative and only consider the inputs of the speed, position, and acceleration of the last time step. To address these issues, this study proposes a novel framework called IDM-Follower that can generate a sequence of following vehicle trajectory by a recurrent autoencoder informed by a physical car-following model, the Intelligent Driving Model (IDM).We implement a novel structure with two independent encoders and a self-attention decoder that could sequentially predict the following trajectories. A loss function considering the discrepancies between predictions and labeled data integrated with discrepancies from model-based predictions is implemented to update the neural network parameters. Numerical experiments with multiple settings on simulation and NGSIM datasets show that the IDM-Follower can improve the prediction performance compared to the model-based or learning-based methods alone. Analysis on different noise levels also shows good robustness of the model.

Strategies based on Explainable Artificial Intelligence - XAI have promoted better human interpretability of the results of black box machine learning models. The XAI measures being currently used (Ciu, Dalex, Eli5, Lofo, Shap, and Skater) provide various forms of explanations, including global rankings of relevance of attributes. Current research points to the need for further studies on how these explanations meet the Interpretability Expectations of human experts and how they can be used to make the model even more transparent while taking into account specific complexities of the model and dataset being analyzed, as well as important human factors of sensitive real-world contexts/problems. Intending to shed light on the explanations generated by XAI measures and their interpretabilities, this research addresses a real-world classification problem related to homicide prediction, duly endorsed by the scientific community, replicated its proposed black box model and used 6 different XAI measures to generate explanations and 6 different human experts to generate what this research referred to as Interpretability Expectations - IE. The results were computed by means of comparative analysis and identification of relationships among all the attribute ranks produced, and ~49% concordance was found among attributes indicated by means of XAI measures and human experts, ~41% exclusively by XAI measures and ~10% exclusively by human experts. The results allow for answering: "Do the different XAI measures generate similar explanations for the proposed problem?", "Are the interpretability expectations generated among different human experts similar?", "Do the explanations generated by XAI measures meet the interpretability expectations of human experts?" and "Can Interpretability Explanations and Expectations work together?", all of which concerning the context of homicide prediction.

Various automatic curriculum learning (ACL) methods have been proposed to improve the sample efficiency and final performance of deep reinforcement learning (DRL). They are designed to control how a DRL agent collects data, which is inspired by how humans gradually adapt their learning processes to their capabilities. For example, ACL can be used for subgoal generation, reward shaping, environment generation, or initial state generation. However, prior work only considers curriculum learning following one of the aforementioned predefined paradigms. It is unclear which of these paradigms are complementary, and how the combination of them can be learned from interactions with the environment. Therefore, in this paper, we propose a unified automatic curriculum learning framework to create multi-objective but coherent curricula that are generated by a set of parametric curriculum modules. Each curriculum module is instantiated as a neural network and is responsible for generating a particular curriculum. In order to coordinate those potentially conflicting modules in unified parameter space, we propose a multi-task hyper-net learning framework that uses a single hyper-net to parameterize all those curriculum modules. In addition to existing hand-designed curricula paradigms, we further design a flexible memory mechanism to learn an abstract curriculum, which may otherwise be difficult to design manually. We evaluate our method on a series of robotic manipulation tasks and demonstrate its superiority over other state-of-the-art ACL methods in terms of sample efficiency and final performance.

Co-administration of two or more drugs simultaneously can result in adverse drug reactions. Identifying drug-drug interactions (DDIs) is necessary, especially for drug development and for repurposing old drugs. DDI prediction can be viewed as a matrix completion task, for which matrix factorization (MF) appears as a suitable solution. This paper presents a novel Graph Regularized Probabilistic Matrix Factorization (GRPMF) method, which incorporates expert knowledge through a novel graph-based regularization strategy within an MF framework. An efficient and sounded optimization algorithm is proposed to solve the resulting non-convex problem in an alternating fashion. The performance of the proposed method is evaluated through the DrugBank dataset, and comparisons are provided against state-of-the-art techniques. The results demonstrate the superior performance of GRPMF when compared to its counterparts.

Class imbalance has a detrimental effect on the predictive performance of most supervised learning algorithms as the imbalanced distribution can lead to a bias preferring the majority class. To solve this problem, we propose a Supervised Contrastive Learning (SCL) method with Bayesian optimization technique based on Tree-structured Parzen Estimator (TPE) for imbalanced tabular datasets. Compared with supervised learning, contrastive learning can avoid "label bias" by extracting the information hidden in data. Based on contrastive loss, SCL can exploit the label information to address insufficient data augmentation of tabular data, and is thus used in the proposed SCL-TPE method to learn a discriminative representation of data. Additionally, as the hyper-parameter temperature has a decisive influence on the SCL performance and is difficult to tune, TPE-based Bayesian optimization is introduced to automatically select the best temperature. Experiments are conducted on both binary and multi-class imbalanced tabular datasets. As shown in the results obtained, TPE outperforms other hyper-parameter optimization (HPO) methods such as grid search, random search, and genetic algorithm. More importantly, the proposed SCL-TPE method achieves much-improved performance compared with the state-of-the-art methods.

The Work Disability Functional Assessment Battery (WD-FAB) is a multidimensional item response theory (IRT) instrument designed for assessing work-related mental and physical function based on responses to an item bank. In prior iterations it was developed using traditional means -- linear factorization, followed by statistical testing for item selection, and finally, calibration of disjoint unidimensional IRT models. As a result, the WD-FAB, like many other IRT instruments, is a posthoc model. In this manuscript, we derive an interpretable probabilistic autoencoder architecture that embeds as the decoder a Bayesian hierarchical model for self-consistently performing the following simultaneous tasks: scale factorization, item selection, parameter identification, and response scoring. This method obviates the linear factorization and null hypothesis statistical tests that are usually required for developing multidimensional IRT models, so that partitioning is consistent with the ultimate nonlinear factor model. We use the method on WD-FAB item responses and compare the resulting item discriminations to those obtained using the traditional method.

However, the inferred attentions are vulnerable to spurious correlations and connectivity in the training data, hampering the generalizability of the model. We introduce CAR, a general-purpose regularization framework for graph attention networks. Embodying a causal inference approach, \methodname aligns the attention mechanism with the causal effects of active interventions on graph connectivity in a scalable manner. CAR is compatible with a variety of graph attention architectures, and we show that it systematically improves generalizability on various node classification tasks. Our ablation studies indicate that \methodname hones in on the aspects of graph structure most pertinent to the prediction (e.g., homophily), and does so more effectively than alternative approaches. Finally, we also show that CAR enhances interpretability of attention weights by accentuating node-neighbor relations that point to causal hypotheses. For social media network-sized graphs, a CAR-guided graph rewiring approach could allow us to combine the scalability of graph convolutional methods with the higher performance of graph attention.

We revisit binary decision trees from the perspective of partitions of the data. We introduce the notion of partitioning function, and we relate it to the growth function and to the VC dimension. We consider three types of features: real-valued, categorical ordinal and categorical nominal, with different split rules for each. For each feature type, we upper bound the partitioning function of the class of decision stumps before extending the bounds to the class of general decision tree (of any fixed structure) using a recursive approach. Using these new results, we are able to find the exact VC dimension of decision stumps on examples of $\ell$ real-valued features, which is given by the largest integer $d$ such that $2\ell \ge \binom{d}{\lfloor\frac{d}{2}\rfloor}$. Furthermore, we show that the VC dimension of a binary tree structure with $L_T$ leaves on examples of $\ell$ real-valued features is in $O(L_T \log(L_T\ell))$. Finally, we elaborate a pruning algorithm based on these results that performs better than the cost-complexity and reduced-error pruning algorithms on a number of data sets, with the advantage that no cross-validation is required.

We propose an analysis in fair learning that preserves the utility of the data while reducing prediction disparities under the criteria of group sufficiency. We focus on the scenario where the data contains multiple or even many subgroups, each with limited number of samples. As a result, we present a principled method for learning a fair predictor for all subgroups via formulating it as a bilevel objective. Specifically, the subgroup specific predictors are learned in the lower-level through a small amount of data and the fair predictor. In the upper-level, the fair predictor is updated to be close to all subgroup specific predictors. We further prove that such a bilevel objective can effectively control the group sufficiency and generalization error. We evaluate the proposed framework on real-world datasets. Empirical evidence suggests the consistently improved fair predictions, as well as the comparable accuracy to the baselines.

Applications of Structural Health Monitoring (SHM) combined with Machine Learning (ML) techniques enhance real-time performance tracking and increase structural integrity awareness of civil, aerospace and automotive infrastructures. This SHM-ML synergy has gained popularity in the last years thanks to the anticipation of maintenance provided by arising ML algorithms and their ability of handling large quantities of data and considering their influence in the problem. In this paper we develop a novel ML nearest-neighbors-alike algorithm based on the principle of maximum entropy to predict fatigue damage (Palmgren-Miner index) in composite materials by processing the signals of Lamb Waves -- a non-destructive SHM technique -- with other meaningful features such as layup parameters and stiffness matrices calculated from the Classical Laminate Theory (CLT). The full data analysis cycle is applied to a dataset of delamination experiments in composites. The predictions achieve a good level of accuracy, similar to other ML algorithms, e.g. Neural Networks or Gradient-Boosted Trees, and computation times are of the same order of magnitude. The key advantages of our proposal are: (1) The automatic determination of all the parameters involved in the prediction, so no hyperparameters have to be set beforehand, which saves time devoted to hypertuning the model and also represents an advantage for autonomous, self-supervised SHM. (2) No training is required, which, in an \textit{online learning} context where streams of data are fed continuously to the model, avoids repeated training -- essential for reliable real-time, continuous monitoring.

Recently, there has been tremendous interest in industry 4.0 infrastructure to address labor shortages in global supply chains. Deploying artificial intelligence-enabled robotic bin picking systems in real world has become particularly important for reducing labor demands and costs while increasing efficiency. To this end, artificial intelligence-enabled robotic bin picking systems may be used to automate bin picking, but may also cause expensive damage during an abnormal event such as a sensor failure. As such, reliability becomes a critical factor for translating artificial intelligence research to real world applications and products. In this paper, we propose a reliable vision system with MultiModal Redundancy (MMRNet) for tackling object detection and segmentation for robotic bin picking using data from different modalities. This is the first system that introduces the concept of multimodal redundancy to combat sensor failure issues during deployment. In particular, we realize the multimodal redundancy framework with a gate fusion module and dynamic ensemble learning. Finally, we present a new label-free multimodal consistency score that utilizes the output from all modalities to measure the overall system output reliability and uncertainty. Through experiments, we demonstrate that in an event of missing modality, our system provides a much more reliable performance compared to baseline models. We also demonstrate that our MC score is a more powerful reliability indicator for outputs during inference time where model generated confidence score are often over-confident.

Federated learning is vulnerable to poisoning attacks in which malicious clients poison the global model via sending malicious model updates to the server. Existing defenses focus on preventing a small number of malicious clients from poisoning the global model via robust federated learning methods and detecting malicious clients when there are a large number of them. However, it is still an open challenge how to recover the global model from poisoning attacks after the malicious clients are detected. A naive solution is to remove the detected malicious clients and train a new global model from scratch, which incurs large cost that may be intolerable for resource-constrained clients such as smartphones and IoT devices. In this work, we propose FedRecover, which can recover an accurate global model from poisoning attacks with small cost for the clients. Our key idea is that the server estimates the clients' model updates instead of asking the clients to compute and communicate them during the recovery process. In particular, the server stores the global models and clients' model updates in each round, when training the poisoned global model. During the recovery process, the server estimates a client's model update in each round using its stored historical information. Moreover, we further optimize FedRecover to recover a more accurate global model using warm-up, periodic correction, abnormality fixing, and final tuning strategies, in which the server asks the clients to compute and communicate their exact model updates. Theoretically, we show that the global model recovered by FedRecover is close to or the same as that recovered by train-from-scratch under some assumptions. Empirically, our evaluation on four datasets, three federated learning methods, as well as untargeted and targeted poisoning attacks (e.g., backdoor attacks) shows that FedRecover is both accurate and efficient.

Exponential tilting is a technique commonly used in fields such as statistics, probability, information theory, and optimization to create parametric distribution shifts. Despite its prevalence in related fields, tilting has not seen widespread use in machine learning. In this work, we aim to bridge this gap by exploring the use of tilting in risk minimization. We study a simple extension to ERM -- tilted empirical risk minimization (TERM) -- which uses exponential tilting to flexibly tune the impact of individual losses. The resulting framework has several useful properties: We show that TERM can increase or decrease the influence of outliers, respectively, to enable fairness or robustness; has variance-reduction properties that can benefit generalization; and can be viewed as a smooth approximation to the tail probability of losses. Our work makes rigorous connections between TERM and related objectives, such as Value-at-Risk, Conditional Value-at-Risk, and distributionally robust optimization (DRO). We develop batch and stochastic first-order optimization methods for solving TERM, provide convergence guarantees for the solvers, and show that the framework can be efficiently solved relative to common alternatives. Finally, we demonstrate that TERM can be used for a multitude of applications in machine learning, such as enforcing fairness between subgroups, mitigating the effect of outliers, and handling class imbalance. Despite the straightforward modification TERM makes to traditional ERM objectives, we find that the framework can consistently outperform ERM and deliver competitive performance with state-of-the-art, problem-specific approaches.

Multi-modal retrieval is an important problem for many applications, such as recommendation and search. Current benchmarks and even datasets are often manually constructed and consist of mostly clean samples where all modalities are well-correlated with the content. Thus, current video-text retrieval literature largely focuses on video titles or audio transcripts, while ignoring user comments, since users often tend to discuss topics only vaguely related to the video. Despite the ubiquity of user comments online, there is currently no multi-modal representation learning datasets that includes comments. In this paper, we a) introduce a new dataset of videos, titles and comments; b) present an attention-based mechanism that allows the model to learn from sometimes irrelevant data such as comments; c) show that by using comments, our method is able to learn better, more contextualised, representations for image, video and audio representations. Project page: https://unitaryai.github.io/vtc-paper.

Gradient inversion attack enables recovery of training samples from model updates in federated learning (FL) and constitutes a serious threat to data privacy. To mitigate this vulnerability, prior work proposed both principled defenses based on differential privacy, as well as heuristic defenses based on gradient compression as countermeasures. These defenses have so far been very effective, in particular those based on gradient compression that allow the model to maintain high accuracy while greatly reducing the attack's effectiveness. In this work, we argue that such findings do not accurately reflect the privacy risk in FL, and show that existing defenses can be broken by a simple adaptive attack that trains a model using auxiliary data to learn how to invert gradients on both vision and language tasks.

Research question: How can we establish an AI support for reading of chest X-rays in clinical routine and which benefits emerge for the clinicians and radiologists. Can it perform 24/7 support for practicing clinicians? 2. Findings: We installed an AI solution for Chest X-ray in a given structure (MVZ Uhlenbrock & Partner, Germany). We could demonstrate the practicability, performance, and benefits in 10 connected clinical sites. 3. Meaning: A commercially available AI solution for the evaluation of Chest X-ray images is able to help radiologists and clinical colleagues 24/7 in a complex environment. The system performs in a robust manner, supporting radiologists and clinical colleagues in their important decisions, in practises and hospitals regardless of the user and X-ray system type producing the image-data.

Bayesian optimization (BO) is a popular approach for sample-efficient optimization of black-box objective functions. While BO has been successfully applied to a wide range of scientific applications, traditional approaches to single-objective BO only seek to find a single best solution. This can be a significant limitation in situations where solutions may later turn out to be intractable. For example, a designed molecule may turn out to violate constraints that can only be reasonably evaluated after the optimization process has concluded. To address this issue, we propose Rank-Ordered Bayesian Optimization with Trust-regions (ROBOT) which aims to find a portfolio of high-performing solutions that are diverse according to a user-specified diversity metric. We evaluate ROBOT on several real-world applications and show that it can discover large sets of high-performing diverse solutions while requiring few additional function evaluations compared to finding a single best solution.

Large and diverse datasets have been the cornerstones of many impressive advancements in artificial intelligence. Intelligent creatures, however, learn by interacting with the environment, which changes the input sensory signals and the state of the environment. In this work, we aim to bring the best of both worlds and propose an algorithm that exhibits an exploratory behavior whilst it utilizes large diverse datasets. Our key idea is to leverage deep generative models that are pretrained on static datasets and introduce a dynamic model in the latent space. The transition dynamics simply mixes an action and a random sampled latent. It then applies an exponential moving average for temporal persistency, the resulting latent is decoded to image using pretrained generator. We then employ an unsupervised reinforcement learning algorithm to explore in this environment and perform unsupervised representation learning on the collected data. We further leverage the temporal information of this data to pair data points as a natural supervision for representation learning. Our experiments suggest that the learned representations can be successfully transferred to downstream tasks in both vision and reinforcement learning domains.

As machine learning becomes more widely adopted across domains, it is critical that researchers and ML engineers think about the inherent biases in the data that may be perpetuated by the model. Recently, many studies have shown that such biases are also imbibed in Graph Neural Network (GNN) models if the input graph is biased, potentially to the disadvantage of underserved and underrepresented communities. In this work, we aim to mitigate the bias learned by GNNs by jointly optimizing two different loss functions: one for the task of link prediction and one for the task of demographic parity. We further implement three different techniques inspired by graph modification approaches: the Global Fairness Optimization (GFO), Constrained Fairness Optimization (CFO), and Fair Edge Weighting (FEW) models. These techniques mimic the effects of changing underlying graph structures within the GNN and offer a greater degree of interpretability over more integrated neural network methods. Our proposed models emulate microscopic or macroscopic edits to the input graph while training GNNs and learn node embeddings that are both accurate and fair under the context of link recommendations. We demonstrate the effectiveness of our approach on four real world datasets and show that we can improve the recommendation fairness by several factors at negligible cost to link prediction accuracy.

Despite the stride made by machine learning (ML) based performance modeling, two major concerns that may impede production-ready ML applications in EDA are stringent accuracy requirements and generalization capability. To this end, we propose hybrid graph neural network (GNN) based approaches towards highly accurate quality-of-result (QoR) estimations with great generalization capability, specifically targeting logic synthesis optimization. The key idea is to simultaneously leverage spatio-temporal information from hardware designs and logic synthesis flows to forecast performance (i.e., delay/area) of various synthesis flows on different designs. The structural characteristics inside hardware designs are distilled and represented by GNNs; the temporal knowledge (i.e., relative ordering of logic transformations) in synthesis flows can be imposed on hardware designs by combining a virtually added supernode or a sequence processing model with conventional GNN models. Evaluation on 3.3 million data points shows that the testing mean absolute percentage error (MAPE) on designs seen and unseen during training are no more than 1.2% and 3.1%, respectively, which are 7-15X lower than existing studies.

Imitation learning offers a promising path for robots to learn general-purpose behaviors, but traditionally has exhibited limited scalability due to high data supervision requirements and brittle generalization. Inspired by recent advances in multi-task imitation learning, we investigate the use of prior data from previous tasks to facilitate learning novel tasks in a robust, data-efficient manner. To make effective use of the prior data, the robot must internalize knowledge from past experiences and contextualize this knowledge in novel tasks. To that end, we develop a skill-based imitation learning framework that extracts temporally extended sensorimotor skills from prior data and subsequently learns a policy for the target task that invokes these learned skills. We identify several key design choices that significantly improve performance on novel tasks, namely representation learning objectives to enable more predictable skill representations and a retrieval-based data augmentation mechanism to increase the scope of supervision for policy training. On a collection of simulated and real-world manipulation domains, we demonstrate that our method significantly outperforms existing imitation learning and offline reinforcement learning approaches. Videos and code are available at https://ut-austin-rpl.github.io/sailor

The electricity industry is heavily implementing smart grid technologies to improve reliability, availability, security, and efficiency. This implementation needs technological advancements, the development of standards and regulations, as well as testing and planning. Smart grid load forecasting and management are critical for reducing demand volatility and improving the market mechanism that connects generators, distributors, and retailers. During policy implementations or external interventions, it is necessary to analyse the uncertainty of their impact on the electricity demand to enable a more accurate response of the system to fluctuating demand. This paper analyses the uncertainties of external intervention impacts on electricity demand. It implements a framework that combines probabilistic and global forecasting models using a deep learning approach to estimate the causal impact distribution of an intervention. The causal effect is assessed by predicting the counterfactual distribution outcome for the affected instances and then contrasting it to the real outcomes. We consider the impact of Covid-19 lockdowns on energy usage as a case study to evaluate the non-uniform effect of this intervention on the electricity demand distribution. We could show that during the initial lockdowns in Australia and some European countries, there was often a more significant decrease in the troughs than in the peaks, while the mean remained almost unaffected.

In this paper, we introduce a novel artificial neural network (ANN) based scheme to estimate the thickness of thin films deposited on a given substrate. Here we consider the visible interference pattern between a plane wave and a diverging wave reflected from the thin film surface that records the thickness information of the thin film. We assume a uniform thickness profile of the film. However, the thickness increases as the deposition takes place. We extract the intensity data along a line through the center of the interference pattern. We train our network by using a number of such line information of known thickness profiles. The performance of the trained network is then tested by estimating the thickness of unknown surfaces. The numerical simulation results show that the proposed technique can be very much useful for automated measurement of thickness, quickly and in real time, during deposition

We propose multirate training of neural networks: partitioning neural network parameters into "fast" and "slow" parts which are trained on different time scales, where slow parts are updated less frequently. By choosing appropriate partitionings we can obtain substantial computational speed-up for transfer learning tasks. We show for applications in vision and NLP that we can fine-tune deep neural networks in almost half the time, without reducing the generalization performance of the resulting models. We analyze the convergence properties of our multirate scheme and draw a comparison with vanilla SGD. We also discuss splitting choices for the neural network parameters which could enhance generalization performance when neural networks are trained from scratch. A multirate approach can be used to learn different features present in the data and as a form of regularization. Our paper unlocks the potential of using multirate techniques for neural network training and provides several starting points for future work in this area.

A common approach to transfer learning under distribution shift is to fine-tune the last few layers of a pre-trained model, preserving learned features while also adapting to the new task. This paper shows that in such settings, selectively fine-tuning a subset of layers (which we term surgical fine-tuning) matches or outperforms commonly used fine-tuning approaches. Moreover, the type of distribution shift influences which subset is more effective to tune: for example, for image corruptions, fine-tuning only the first few layers works best. We validate our findings systematically across seven real-world data tasks spanning three types of distribution shifts. Theoretically, we prove that for two-layer neural networks in an idealized setting, first-layer tuning can outperform fine-tuning all layers. Intuitively, fine-tuning more parameters on a small target dataset can cause information learned during pre-training to be forgotten, and the relevant information depends on the type of shift.

An expeditious development of graph learning in recent years has found innumerable applications in several diversified fields. Of the main associated challenges are the volume and complexity of graph data. The graph learning models suffer from the inability to efficiently learn graph information. In order to indemnify this inefficacy, physics-informed graph learning (PIGL) is emerging. PIGL incorporates physics rules while performing graph learning, which has enormous benefits. This paper presents a systematic review of PIGL methods. We begin with introducing a unified framework of graph learning models followed by examining existing PIGL methods in relation to the unified framework. We also discuss several future challenges for PIGL. This survey paper is expected to stimulate innovative research and development activities pertaining to PIGL.

Deep neural network (DNN) and its variants have been extensively used for a wide spectrum of real applications such as image classification, face/speech recognition, fraud detection, and so on. In addition to many important machine learning tasks, as artificial networks emulating the way brain cells function, DNNs also show the capability of storing non-linear relationships between input and output data, which exhibits the potential of storing data via DNNs. We envision a new paradigm of data storage, "DNN-as-a-Database", where data are encoded in well-trained machine learning models. Compared with conventional data storage that directly records data in raw formats, learning-based structures (e.g., DNN) can implicitly encode data pairs of inputs and outputs and compute/materialize actual output data of different resolutions only if input data are provided. This new paradigm can greatly enhance the data security by allowing flexible data privacy settings on different levels, achieve low space consumption and fast computation with the acceleration of new hardware (e.g., Diffractive Neural Network and AI chips), and can be generalized to distributed DNN-based storage/computing. In this paper, we propose this novel concept of learning-based data storage, which utilizes a learning structure called learning-based memory unit (LMU), to store, organize, and retrieve data. As a case study, we use DNNs as the engine in the LMU, and study the data capacity and accuracy of the DNN-based data storage. Our preliminary experimental results show the feasibility of the learning-based data storage by achieving high (100%) accuracy of the DNN storage. We explore and design effective solutions to utilize the DNN-based data storage to manage and query relational tables. We discuss how to generalize our solutions to other data types (e.g., graphs) and environments such as distributed DNN storage/computing.

In this paper, we investigate a general class of stochastic gradient descent (SGD) algorithms, called conditioned SGD, based on a preconditioning of the gradient direction. Using a discrete-time approach with martingale tools, we establish the weak convergence of the rescaled sequence of iterates for a broad class of conditioning matrices including stochastic first-order and second-order methods. Almost sure convergence results, which may be of independent interest, are also presented. When the conditioning matrix is an estimate of the inverse Hessian, the algorithm is proved to be asymptotically optimal. For the sake of completeness, we provide a practical procedure to achieve this minimum variance.

As a booming research area in the past decade, deep learning technologies have been driven by big data collected and processed on an unprecedented scale. However, the sensitive information in the collected training data raises privacy concerns. Recent research indicated that deep learning models are vulnerable to various privacy attacks, including membership inference attacks, attribute inference attacks, and gradient inversion attacks. It is noteworthy that the performance of the attacks varies from model to model. In this paper, we conduct empirical analyses to answer a fundamental question: Does model architecture affect model privacy? We investigate several representative model architectures from CNNs to Transformers, and show that Transformers are generally more vulnerable to privacy attacks than CNNs. We further demonstrate that the micro design of activation layers, stem layers, and bias parameters, are the major reasons why CNNs are more resilient to privacy attacks than Transformers. We also find that the presence of attention modules is another reason why Transformers are more vulnerable to privacy attacks. We hope our discovery can shed some new light on how to defend against the investigated privacy attacks and help the community build privacy-friendly model architectures.

A confidence sequence (CS) is an anytime-valid sequential inference primitive which produces an adapted sequence of sets for a predictable parameter sequence with a time-uniform coverage guarantee. This work constructs a non-parametric non-asymptotic lower CS for the running average conditional expectation whose slack converges to zero given non-negative right heavy-tailed observations with bounded mean. Specifically, when the variance is finite the approach dominates the empirical Bernstein supermartingale of Howard et. al.; with infinite variance, can adapt to a known or unknown $(1 + \delta)$-th moment bound; and can be efficiently approximated using a sublinear number of sufficient statistics. In certain cases this lower CS can be converted into a closed-interval CS whose width converges to zero, e.g., any bounded realization, or post contextual-bandit inference with bounded rewards and unbounded importance weights. A reference implementation and example simulations demonstrate the technique.

Hypothesis testing and the usage of expert knowledge, or causal priors, has not been well explored in the context of generative models. We propose a novel set of generative architectures, Causal Gen and Causal Variational Gen, that can utilize nonparametric structural causal knowledge combined with a deep learning functional approximation. We show how, using a deliberate (non-random) split of training and testing data, these models can generalize better to similar, but out-of-distribution data points, than non-causal generative models and prediction models such as Variational autoencoders and Fully Connected Neural Networks. We explore using this generalization error as a proxy for causal model hypothesis testing. We further show how dropout can be used to learn functional relationships of structural models that are difficult to learn with traditional methods. We validate our methods on a synthetic pendulum dataset, as well as a trauma surgery ground level fall dataset.

Cyber-physical systems (CPS) and Internet-of-Things (IoT) devices are increasingly being deployed across multiple functionalities, ranging from healthcare devices and wearables to critical infrastructures, e.g., nuclear power plants, autonomous vehicles, smart cities, and smart homes. These devices are inherently not secure across their comprehensive software, hardware, and network stacks, thus presenting a large attack surface that can be exploited by hackers. In this article, we present an innovative technique for detecting unknown system vulnerabilities, managing these vulnerabilities, and improving incident response when such vulnerabilities are exploited. The novelty of this approach lies in extracting intelligence from known real-world CPS/IoT attacks, representing them in the form of regular expressions, and employing machine learning (ML) techniques on this ensemble of regular expressions to generate new attack vectors and security vulnerabilities. Our results show that 10 new attack vectors and 122 new vulnerability exploits can be successfully generated that have the potential to exploit a CPS or an IoT ecosystem. The ML methodology achieves an accuracy of 97.4% and enables us to predict these attacks efficiently with an 87.2% reduction in the search space. We demonstrate the application of our method to the hacking of the in-vehicle network of a connected car. To defend against the known attacks and possible novel exploits, we discuss a defense-in-depth mechanism for various classes of attacks and the classification of data targeted by such attacks. This defense mechanism optimizes the cost of security measures based on the sensitivity of the protected resource, thus incentivizing its adoption in real-world CPS/IoT by cybersecurity practitioners.

Two-stage robust optimization problems constitute one of the hardest optimization problem classes. One of the solution approaches to this class of problems is $K$-adaptability. This approach simultaneously seeks the best partitioning of the uncertainty set of scenarios into $K$ subsets, and optimizes decisions corresponding to each of these subsets. In general case, it is solved using the $K$-adaptability branch-and-bound algorithm, which requires exploration of exponentially-growing solution trees. To accelerate finding high-quality solutions in such trees, we propose a machine learning-based node selection strategy. In particular, we construct a feature engineering scheme based on general two-stage robust optimization insights that allows us to train our machine learning tool on a database of resolved B\&B trees, and to apply it as-is to problems of different sizes and/or types. We experimentally show that using our learned node selection strategy outperforms a vanilla, random node selection strategy when tested on problems of the same type as the training problems, also in case the $K$-value or the problem size differs from the training ones.

Due to depth ambiguities and occlusions, lifting 2D poses to 3D is a highly ill-posed problem. Well-calibrated distributions of possible poses can make these ambiguities explicit and preserve the resulting uncertainty for downstream tasks. This study shows that previous attempts, which account for these ambiguities via multiple hypotheses generation, produce miscalibrated distributions. We identify that miscalibration can be attributed to the use of sample-based metrics such as minMPJPE. In a series of simulations, we show that minimizing minMPJPE, as commonly done, should converge to the correct mean prediction. However, it fails to correctly capture the uncertainty, thus resulting in a miscalibrated distribution. To mitigate this problem, we propose an accurate and well-calibrated model called Conditional Graph Normalizing Flow (cGNFs). Our model is structured such that a single cGNF can estimate both conditional and marginal densities within the same model - effectively solving a zero-shot density estimation problem. We evaluate cGNF on the Human~3.6M dataset and show that cGNF provides a well-calibrated distribution estimate while being close to state-of-the-art in terms of overall minMPJPE. Furthermore, cGNF outperforms previous methods on occluded joints while it remains well-calibrated.

The International Atomic Energy Agency (IAEA) stopping power database is a highly valued public resource compiling most of the experimental measurements published over nearly a century. The database -- accessible to the global scientific community -- is continuously updated and has been extensively employed in theoretical and experimental research for more than thirty years. This work aims to employ machine learning algorithms on the 2021 IAEA database to predict accurate electronic stopping power cross sections for any ion and target combination in a wide range of incident energies. Unsupervised machine learning methods are applied to clean the database in an automated manner. These techniques purge the data by removing suspicious outliers and old isolated values. A large portion of the remaining data is used to train a deep neural network, while the rest is set aside, constituting the test set. The present work considers collisional systems only with atomic targets. The first version of the electronic stopping power neural network code (espnn), openly available to users, is shown to yield predicted values in excellent agreement with the experimental results of the test set.

Neural networks have revolutionized the field of machine learning with increased predictive capability. In addition to improving the predictions of neural networks, there is a simultaneous demand for reliable uncertainty quantification on estimates made by machine learning methods such as neural networks. Bayesian neural networks (BNNs) are an important type of neural network with built-in capability for quantifying uncertainty. This paper discusses aleatoric and epistemic uncertainty in BNNs and how they can be calculated. With an example dataset of images where the goal is to identify the amplitude of an event in the image, it is shown that epistemic uncertainty tends to be lower in images which are well-represented in the training dataset and tends to be high in images which are not well-represented. An algorithm for out-of-distribution (OoD) detection with BNN epistemic uncertainty is introduced along with various experiments demonstrating factors influencing the OoD detection capability in a BNN. The OoD detection capability with epistemic uncertainty is shown to be comparable to the OoD detection in the discriminator network of a generative adversarial network (GAN) with comparable network architecture.

We propose a generalization of the synthetic control and synthetic interventions methodology to the dynamic treatment regime. We consider the estimation of unit-specific treatment effects from panel data collected via a dynamic treatment regime and in the presence of unobserved confounding. That is, each unit receives multiple treatments sequentially, based on an adaptive policy, which depends on a latent endogenously time-varying confounding state of the treated unit. Under a low-rank latent factor model assumption and a technical overlap assumption we propose an identification strategy for any unit-specific mean outcome under any sequence of interventions. The latent factor model we propose admits linear time-varying and time-invariant dynamical systems as special cases. Our approach can be seen as an identification strategy for structural nested mean models under a low-rank latent factor assumption on the blip effects. Our method, which we term "synthetic blip effects", is a backwards induction process, where the blip effect of a treatment at each period and for a target unit is recursively expressed as linear combinations of blip effects of a carefully chosen group of other units that received the designated treatment. Our work avoids the combinatorial explosion in the number of units that would be required by a vanilla application of prior synthetic control and synthetic intervention methods in such dynamic treatment regime settings.

Deep Learning-based image synthesis techniques have been applied in healthcare research for generating medical images to support open research and augment medical datasets. Training generative adversarial neural networks (GANs) usually require large amounts of training data. Federated learning (FL) provides a way of training a central model using distributed data while keeping raw data locally. However, given that the FL server cannot access the raw data, it is vulnerable to backdoor attacks, an adversarial by poisoning training data. Most backdoor attack strategies focus on classification models and centralized domains. It is still an open question if the existing backdoor attacks can affect GAN training and, if so, how to defend against the attack in the FL setting. In this work, we investigate the overlooked issue of backdoor attacks in federated GANs (FedGANs). The success of this attack is subsequently determined to be the result of some local discriminators overfitting the poisoned data and corrupting the local GAN equilibrium, which then further contaminates other clients when averaging the generator's parameters and yields high generator loss. Therefore, we proposed FedDetect, an efficient and effective way of defending against the backdoor attack in the FL setting, which allows the server to detect the client's adversarial behavior based on their losses and block the malicious clients. Our extensive experiments on two medical datasets with different modalities demonstrate the backdoor attack on FedGANs can result in synthetic images with low fidelity. After detecting and suppressing the detected malicious clients using the proposed defense strategy, we show that FedGANs can synthesize high-quality medical datasets (with labels) for data augmentation to improve classification models' performance.

Federated learning (FL) allows participants to collaboratively train machine and deep learning models while protecting data privacy. However, the FL paradigm still presents drawbacks affecting its trustworthiness since malicious participants could launch adversarial attacks against the training process. Related work has studied the robustness of horizontal FL scenarios under different attacks. However, there is a lack of work evaluating the robustness of decentralized vertical FL and comparing it with horizontal FL architectures affected by adversarial attacks. Thus, this work proposes three decentralized FL architectures, one for horizontal and two for vertical scenarios, namely HoriChain, VertiChain, and VertiComb. These architectures present different neural networks and training protocols suitable for horizontal and vertical scenarios. Then, a decentralized, privacy-preserving, and federated use case with non-IID data to classify handwritten digits is deployed to evaluate the performance of the three architectures. Finally, a set of experiments computes and compares the robustness of the proposed architectures when they are affected by different data poisoning based on image watermarks and gradient poisoning adversarial attacks. The experiments show that even though particular configurations of both attacks can destroy the classification performance of the architectures, HoriChain is the most robust one.

We propose a framework to enable multipurpose assistive mobile robots to autonomously wipe tables to clean spills and crumbs. This problem is challenging, as it requires planning wiping actions while reasoning over uncertain latent dynamics of crumbs and spills captured via high-dimensional visual observations. Simultaneously, we must guarantee constraints satisfaction to enable safe deployment in unstructured cluttered environments. To tackle this problem, we first propose a stochastic differential equation to model crumbs and spill dynamics and absorption with a robot wiper. Using this model, we train a vision-based policy for planning wiping actions in simulation using reinforcement learning (RL). To enable zero-shot sim-to-real deployment, we dovetail the RL policy with a whole-body trajectory optimization framework to compute base and arm joint trajectories that execute the desired wiping motions while guaranteeing constraints satisfaction. We extensively validate our approach in simulation and on hardware. Video: https://youtu.be/inORKP4F3EI

This paper integrates manifold learning techniques within a \emph{Gaussian process upper confidence bound} algorithm to optimize an objective function on a manifold. Our approach is motivated by applications where a full representation of the manifold is not available and querying the objective is expensive. We rely on a point cloud of manifold samples to define a graph Gaussian process surrogate model for the objective. Query points are sequentially chosen using the posterior distribution of the surrogate model given all previous queries. We establish regret bounds in terms of the number of queries and the size of the point cloud. Several numerical examples complement the theory and illustrate the performance of our method.

Recently, adversarial imitation learning has shown a scalable reward acquisition method for inverse reinforcement learning (IRL) problems. However, estimated reward signals often become uncertain and fail to train a reliable statistical model since the existing methods tend to solve hard optimization problems directly. Inspired by a first-order optimization method called mirror descent, this paper proposes to predict a sequence of reward functions, which are iterative solutions for a constrained convex problem. IRL solutions derived by mirror descent are tolerant to the uncertainty incurred by target density estimation since the amount of reward learning is regulated with respect to local geometric constraints. We prove that the proposed mirror descent update rule ensures robust minimization of a Bregman divergence in terms of a rigorous regret bound of $\mathcal{O}(1/T)$ for step sizes $\{\eta_t\}_{t=1}^{T}$. Our IRL method was applied on top of an adversarial framework, and it outperformed existing adversarial methods in an extensive suite of benchmarks.

Data augmentation is a ubiquitous technique used to provide robustness to automatic speech recognition (ASR) training. However, even as so much of the ASR training process has become automated and more "end-to-end", the data augmentation policy (what augmentation functions to use, and how to apply them) remains hand-crafted. We present Graph-Augment, a technique to define the augmentation space as directed acyclic graphs (DAGs) and search over this space to optimize the augmentation policy itself. We show that given the same computational budget, policies produced by G-Augment are able to perform better than SpecAugment policies obtained by random search on fine-tuning tasks on CHiME-6 and AMI. G-Augment is also able to establish a new state-of-the-art ASR performance on the CHiME-6 evaluation set (30.7% WER). We further demonstrate that G-Augment policies show better transfer properties across warm-start to cold-start training and model size compared to random-searched SpecAugment policies.

Many existing works on singing voice conversion (SVC) require clean recordings of target singer's voice for training. However, it is often difficult to collect them in advance and singing voices are often distorted with reverb and accompaniment music. In this work, we propose robust one-shot SVC (ROSVC) that performs any-to-any SVC robustly even on such distorted singing voices using less than 10s of a reference voice. To this end, we propose two-stage training method called Robustify. In the first stage, a novel one-shot SVC model based on a generative adversarial network is trained on clean data to ensure high-quality conversion. In the second stage, enhancement modules are introduced to the encoders of the model to improve the robustness against distortions in the feature space. Experimental results show that the proposed method outperforms one-shot SVC baselines for both seen and unseen singers and greatly improves the robustness against the distortions.

Scene Text Recognition (STR) models have achieved high performance in recent years on benchmark datasets where text images are presented with minimal noise. Traditional STR recognition pipelines take a cropped image as sole input and attempt to identify the characters present. This infrastructure can fail in instances where the input image is noisy or the text is partially obscured. This paper proposes using semantic information from the greater scene to contextualise predictions. We generate semantic vectors using object tags and fuse this information into a transformer-based architecture. The results demonstrate that our multimodal approach yields higher performance than traditional benchmark models, particularly on noisy instances.

Exponential tilting is a technique commonly used in fields such as statistics, probability, information theory, and optimization to create parametric distribution shifts. Despite its prevalence in related fields, tilting has not seen widespread use in machine learning. In this work, we aim to bridge this gap by exploring the use of tilting in risk minimization. We study a simple extension to ERM -- tilted empirical risk minimization (TERM) -- which uses exponential tilting to flexibly tune the impact of individual losses. The resulting framework has several useful properties: We show that TERM can increase or decrease the influence of outliers, respectively, to enable fairness or robustness; has variance-reduction properties that can benefit generalization; and can be viewed as a smooth approximation to the tail probability of losses. Our work makes rigorous connections between TERM and related objectives, such as Value-at-Risk, Conditional Value-at-Risk, and distributionally robust optimization (DRO). We develop batch and stochastic first-order optimization methods for solving TERM, provide convergence guarantees for the solvers, and show that the framework can be efficiently solved relative to common alternatives. Finally, we demonstrate that TERM can be used for a multitude of applications in machine learning, such as enforcing fairness between subgroups, mitigating the effect of outliers, and handling class imbalance. Despite the straightforward modification TERM makes to traditional ERM objectives, we find that the framework can consistently outperform ERM and deliver competitive performance with state-of-the-art, problem-specific approaches.

Recently used in various machine learning contexts, the Gromov-Wasserstein distance (GW) allows for comparing distributions whose supports do not necessarily lie in the same metric space. However, this Optimal Transport (OT) distance requires solving a complex non convex quadratic program which is most of the time very costly both in time and memory. Contrary to GW, the Wasserstein distance (W) enjoys several properties (e.g. duality) that permit large scale optimization. Among those, the solution of W on the real line, that only requires sorting discrete samples in 1D, allows defining the Sliced Wasserstein (SW) distance. This paper proposes a new divergence based on GW akin to SW. We first derive a closed form for GW when dealing with 1D distributions, based on a new result for the related quadratic assignment problem. We then define a novel OT discrepancy that can deal with large scale distributions via a slicing approach and we show how it relates to the GW distance while being $O(n\log(n))$ to compute. We illustrate the behavior of this so called Sliced Gromov-Wasserstein (SGW) discrepancy in experiments where we demonstrate its ability to tackle similar problems as GW while being several order of magnitudes faster to compute.

The task of ranking individuals or teams, based on a set of comparisons between pairs, arises in various contexts, including sporting competitions and the analysis of dominance hierarchies among animals and humans. Given data on which competitors beat which others, the challenge is to rank the competitors from best to worst. Here we study the problem of computing rankings when there are multiple, potentially conflicting modes of comparison, such as multiple types of dominance behaviors among animals. We assume that we do not know a priori what information each behavior conveys about the ranking, or even whether they convey any information at all. Nonetheless we show that it is possible to compute a ranking in this situation and present a fast method for doing so, based on a combination of an expectation-maximization algorithm and a modified Bradley-Terry model. We give a selection of example applications to both animal and human competition.

Two linearly uncorrelated binary variables must be also independent because non-linear dependence cannot manifest with only two possible states. This inherent linearity is the atom of dependency constituting any complex form of relationship. Inspired by this observation, we develop a framework called binary expansion linear effect (BELIEF) for assessing and understanding arbitrary relationships with a binary outcome. Models from the BELIEF framework are easily interpretable because they describe the association of binary variables in the language of linear models, yielding convenient theoretical insight and striking parallels with the Gaussian world. In particular, an algebraic structure on the predictors with nonzero slopes governs conditional independence properties. With BELIEF, one may study generalized linear models (GLM) through transparent linear models, providing insight into how modeling is affected by the choice of link. For example, setting a GLM interaction coefficient to zero does not necessarily lead to the kind of no-interaction model assumption as understood under their linear model counterparts. Furthermore, for a binary response, maximum likelihood estimation for GLMs paradoxically fails under complete separation, when the data are most discriminative, whereas BELIEF estimation automatically reveals the perfect predictor in the data that is responsible for complete separation. We explore these phenomena and provide a host of related theoretical results. We also provide preliminary empirical demonstration and verification of some theoretical results.

We revisit binary decision trees from the perspective of partitions of the data. We introduce the notion of partitioning function, and we relate it to the growth function and to the VC dimension. We consider three types of features: real-valued, categorical ordinal and categorical nominal, with different split rules for each. For each feature type, we upper bound the partitioning function of the class of decision stumps before extending the bounds to the class of general decision tree (of any fixed structure) using a recursive approach. Using these new results, we are able to find the exact VC dimension of decision stumps on examples of $\ell$ real-valued features, which is given by the largest integer $d$ such that $2\ell \ge \binom{d}{\lfloor\frac{d}{2}\rfloor}$. Furthermore, we show that the VC dimension of a binary tree structure with $L_T$ leaves on examples of $\ell$ real-valued features is in $O(L_T \log(L_T\ell))$. Finally, we elaborate a pruning algorithm based on these results that performs better than the cost-complexity and reduced-error pruning algorithms on a number of data sets, with the advantage that no cross-validation is required.

We apply the PAC-Bayes theory to the setting of learning-to-optimize. To the best of our knowledge, we present the first framework to learn optimization algorithms with provable generalization guarantees (PAC-bounds) and explicit trade-off between a high probability of convergence and a high convergence speed. Even in the limit case, where convergence is guaranteed, our learned optimization algorithms provably outperform related algorithms based on a (deterministic) worst-case analysis. Our results rely on PAC-Bayes bounds for general, unbounded loss-functions based on exponential families. By generalizing existing ideas, we reformulate the learning procedure into a one-dimensional minimization problem and study the possibility to find a global minimum, which enables the algorithmic realization of the learning procedure. As a proof-of-concept, we learn hyperparameters of standard optimization algorithms to empirically underline our theory.

Real world datasets contain incorrectly labeled instances that hamper the performance of the model and, in particular, the ability to generalize out of distribution. Also, each example might have different contribution towards learning. This motivates studies to better understanding of the role of data instances with respect to their contribution in good metrics in models. In this paper we propose a method based on metrics computed from training dynamics of Gradient Boosting Decision Trees (GBDTs) to assess the behavior of each training example. We focus on datasets containing mostly tabular or structured data, for which the use of Decision Trees ensembles are still the state-of-the-art in terms of performance. We show results on detecting noisy labels in order to either remove them, improving models' metrics in synthetic and real datasets, as well as a productive dataset. Our methods achieved the best results overall when compared with confident learning and heuristics.

We propose multirate training of neural networks: partitioning neural network parameters into "fast" and "slow" parts which are trained on different time scales, where slow parts are updated less frequently. By choosing appropriate partitionings we can obtain substantial computational speed-up for transfer learning tasks. We show for applications in vision and NLP that we can fine-tune deep neural networks in almost half the time, without reducing the generalization performance of the resulting models. We analyze the convergence properties of our multirate scheme and draw a comparison with vanilla SGD. We also discuss splitting choices for the neural network parameters which could enhance generalization performance when neural networks are trained from scratch. A multirate approach can be used to learn different features present in the data and as a form of regularization. Our paper unlocks the potential of using multirate techniques for neural network training and provides several starting points for future work in this area.

We compute exact values respectively bounds of "distances" - in the sense of (transforms of) power divergences and relative entropy - between two discrete-time Galton-Watson branching processes with immigration GWI for which the offspring as well as the immigration is arbitrarily Poisson-distributed (leading to arbitrary type of criticality). Implications for asymptotic distinguishability behaviour in terms of contiguity and entire separation of the involved GWI are given, too. Furthermore, we determine the corresponding limit quantities for the context in which the two GWI converge to Feller-type branching diffusion processes, as the time-lags between observations tend to zero. Some applications to (static random environment like) Bayesian decision making and Neyman-Pearson testing are presented as well.

Supervised Causal Learning (SCL) aims to learn causal relations from observational data by accessing previously seen datasets associated with ground truth causal relations. This paper presents a first attempt at addressing a fundamental question: What are the benefits from supervision and how does it benefit? Starting from seeing that SCL is not better than random guessing if the learning target is non-identifiable a priori, we propose a two-phase paradigm for SCL by explicitly considering structure identifiability. Following this paradigm, we tackle the problem of SCL on discrete data and propose ML4C. The core of ML4C is a binary classifier with a novel learning target: it classifies whether an Unshielded Triple (UT) is a v-structure or not. Specifically, starting from an input dataset with the corresponding skeleton provided, ML4C orients each UT once it is classified as a v-structure. These v-structures are together used to construct the final output. To address the fundamental question of SCL, we propose a principled method for ML4C featurization: we exploit the vicinity of a given UT (i.e., the neighbors of UT in skeleton), and derive features by considering the conditional dependencies and structural entanglement within the vicinity. We further prove that ML4C is asymptotically correct. Last but foremost, thorough experiments conducted on benchmark datasets demonstrate that ML4C remarkably outperforms other state-of-the-art algorithms in terms of accuracy, reliability, robustness and tolerance. In summary, ML4C shows promising results on validating the effectiveness of supervision for causal learning. Our codes are publicly available at https://github.com/microsoft/ML4C.

Volatility clustering is a common phenomenon in financial time series. Typically, linear models can be used to describe the temporal autocorrelation of the (logarithmic) variance of returns. Considering the difficulty in estimating this model, we construct a Dynamic Bayesian Network, which utilizes the conjugate prior relation of normal-gamma and gamma-gamma, so that its posterior form locally remains unchanged at each node. This makes it possible to find approximate solutions using variational methods quickly. Furthermore, we ensure that the volatility expressed by the model is an independent incremental process after inserting dummy gamma nodes between adjacent time steps. We have found that this model has two advantages: 1) It can be proved that it can express heavier tails than Gaussians, i.e., have positive excess kurtosis, compared to popular linear models. 2) If the variational inference(VI) is used for state estimation, it runs much faster than Monte Carlo(MC) methods since the calculation of the posterior uses only basic arithmetic operations. And its convergence process is deterministic. We tested the model, named Gam-Chain, using recent Crypto, Nasdaq, and Forex records of varying resolutions. The results show that: 1) In the same case of using MC, this model can achieve comparable state estimation results with the regular lognormal chain. 2) In the case of only using VI, this model can obtain accuracy that are slightly worse than MC, but still acceptable in practice; 3) Only using VI, the running time of Gam-Chain, in general case, can be reduced to below 5% of that based on the lognormal chain via MC.

We present and analyze the Krylov-Bellman Boosting (KBB) algorithm for policy evaluation in general state spaces. It alternates between fitting the Bellman residual using non-parametric regression (as in boosting), and estimating the value function via the least-squares temporal difference (LSTD) procedure applied with a feature set that grows adaptively over time. By exploiting the connection to Krylov methods, we equip this method with two attractive guarantees. First, we provide a general convergence bound that allows for separate estimation errors in residual fitting and LSTD computation. Consistent with our numerical experiments, this bound shows that convergence rates depend on the restricted spectral structure, and are typically super-linear. Second, by combining this meta-result with sample-size dependent guarantees for residual fitting and LSTD computation, we obtain concrete statistical guarantees that depend on the sample size along with the complexity of the function class used to fit the residuals. We illustrate the behavior of the KBB algorithm for various types of policy evaluation problems, and typically find large reductions in sample complexity relative to the standard approach of fitted value iterationn.

The problem of attempting to learn the mapping between data and labels is the crux of any machine learning task. It is, therefore, of interest to the machine learning community on practical as well as theoretical counts to consider the existence of a test or criterion for deciding the feasibility of attempting to learn. We investigate the existence of such a criterion in the setting of PAC-learning, basing the feasibility solely on whether the mapping to be learnt lends itself to approximation by a given class of hypothesis functions. We show that no such criterion exists, exposing a fundamental limitation in the decidability of learning. In other words, we prove that testing for PAC-learnability is undecidable in the Turing sense. We also briefly discuss some of the probable implications of this result to the current practice of machine learning.

Predictive multiplicity occurs when classification models with statistically indistinguishable performances assign conflicting predictions to individual samples. When used for decision-making in applications of consequence (e.g., lending, education, criminal justice), models developed without regard for predictive multiplicity may result in unjustified and arbitrary decisions for specific individuals. We introduce a new metric, called Rashomon Capacity, to measure predictive multiplicity in probabilistic classification. Prior metrics for predictive multiplicity focus on classifiers that output thresholded (i.e., 0-1) predicted classes. In contrast, Rashomon Capacity applies to probabilistic classifiers, capturing more nuanced score variations for individual samples. We provide a rigorous derivation for Rashomon Capacity, argue its intuitive appeal, and demonstrate how to estimate it in practice. We show that Rashomon Capacity yields principled strategies for disclosing conflicting models to stakeholders. Our numerical experiments illustrate how Rashomon Capacity captures predictive multiplicity in various datasets and learning models, including neural networks. The tools introduced in this paper can help data scientists measure and report predictive multiplicity prior to model deployment.

In this note we demonstrate provable convergence of SGD to the global minima of appropriately regularized $\ell_2-$empirical risk of depth $2$ nets -- for arbitrary data and with any number of gates, if they are using adequately smooth and bounded activations like sigmoid and tanh. We build on the results in [1] and leverage a constant amount of Frobenius norm regularization on the weights, along with sampling of the initial weights from an appropriate distribution. We also give a continuous time SGD convergence result that also applies to smooth unbounded activations like SoftPlus. Our key idea is to show the existence loss functions on constant sized neural nets which are "Villani Functions".

In this paper, we investigate a novel problem of building contextual bandits in the vertical federated setting, i.e., contextual information is vertically distributed over different departments. This problem remains largely unexplored in the research community. To this end, we carefully design a customized encryption scheme named orthogonal matrix-based mask mechanism(O3M) for encrypting local contextual information while avoiding expensive conventional cryptographic techniques. We further apply the mechanism to two commonly-used bandit algorithms, LinUCB and LinTS, and instantiate two practical protocols for online recommendation under the vertical federated setting. The proposed protocols can perfectly recover the service quality of centralized bandit algorithms while achieving a satisfactory runtime efficiency, which is theoretically proved and analyzed in this paper. By conducting extensive experiments on both synthetic and real-world datasets, we show the superiority of the proposed method in terms of privacy protection and recommendation performance.

State-of-the-art machine learning models can be vulnerable to very small input perturbations that are adversarially constructed. Adversarial training is an effective approach to defend against such examples. It is formulated as a min-max problem, searching for the best solution when the training data was corrupted by the worst-case attacks. For linear regression problems, adversarial training can be formulated as a convex problem. We use this reformulation to make two technical contributions: First, we formulate the training problem as an instance of robust regression to reveal its connection to parameter-shrinking methods, specifically that $\ell_\infty$-adversarial training produces sparse solutions. Secondly, we study adversarial training in the overparameterized regime, i.e. when there are more parameters than data. We prove that adversarial training with small disturbances gives the solution with the minimum-norm that interpolates the training data. Ridge regression and lasso approximate such interpolating solutions as their regularization parameter vanishes. By contrast, for adversarial training, the transition into the interpolation regime is abrupt and for non-zero values of disturbance. This result is proved and illustrated with numerical examples.

We propose a general method for constructing hypothesis tests and confidence sets that have finite sample guarantees without regularity conditions. We refer to such procedures as "universal." The method is very simple and is based on a modified version of the usual likelihood ratio statistic, that we call "the split likelihood ratio test" (split LRT). The method is especially appealing for irregular statistical models. Canonical examples include mixture models and models that arise in shape-constrained inference. Constructing tests and confidence sets for such models is notoriously difficult. Typical inference methods, like the likelihood ratio test, are not useful in these cases because they have intractable limiting distributions. In contrast, the method we suggest works for any parametric model and also for some nonparametric models. The split LRT can also be used with profile likelihoods to deal with nuisance parameters, and it can also be run sequentially to yield anytime-valid $p$-values and confidence sequences.

When utilising PAC-Bayes theory for risk certification, it is usually necessary to estimate and bound the Gibbs risk of the PAC-Bayes posterior. Many works in the literature employ a method for this which requires a large number of passes of the dataset, incurring high computational cost. This manuscript presents a very general alternative which makes computational savings on the order of the dataset size.

Many classification problems consider classes that form a hierarchy. Classifiers that are aware of this hierarchy may be able to make confident predictions at a coarse level despite being uncertain at the fine-grained level. While it is generally possible to vary the granularity of predictions using a threshold at inference time, most contemporary work considers only leaf-node prediction, and almost no prior work has compared methods at multiple operating points. We present an efficient algorithm to produce operating characteristic curves for any method that assigns a score to every class in the hierarchy. Applying this technique to evaluate existing methods reveals that top-down classifiers are dominated by a naive flat softmax classifier across the entire operating range. We further propose two novel loss functions and show that a soft variant of the structured hinge loss is able to significantly outperform the flat baseline. Finally, we investigate the poor accuracy of top-down classifiers and demonstrate that they perform relatively well on unseen classes. Code is available online at https://github.com/jvlmdr/hiercls.

The mean field variational inference (MFVI) formulation restricts the general Bayesian inference problem to the subspace of product measures. We present a framework to analyze MFVI algorithms, which is inspired by a similar development for general variational Bayesian formulations. Our approach enables the MFVI problem to be represented in three different manners: a gradient flow on Wasserstein space, a system of Fokker-Planck-like equations and a diffusion process. Rigorous guarantees are established to show that a time-discretized implementation of the coordinate ascent variational inference algorithm in the product Wasserstein space of measures yields a gradient flow in the limit. A similar result is obtained for their associated densities, with the limit being given by a quasi-linear partial differential equation. A popular class of practical algorithms falls in this framework, which provides tools to establish convergence. We hope this framework could be used to guarantee convergence of algorithms in a variety of approaches, old and new, to solve variational inference problems.

We study the generalisation properties of majority voting on finite ensembles of classifiers, proving margin-based generalisation bounds via the PAC-Bayes theory. These provide state-of-the-art guarantees on a number of classification tasks. Our central results leverage the Dirichlet posteriors studied recently by Zantedeschi et al. [2021] for training voting classifiers; in contrast to that work our bounds apply to non-randomised votes via the use of margins. Our contributions add perspective to the debate on the "margins theory" proposed by Schapire et al. [1998] for the generalisation of ensemble classifiers.

Voice conversion is a task to convert a non-linguistic feature of a given utterance. Since naturalness of speech strongly depends on its pitch pattern, in some applications, it would be desirable to keep the original rise/fall pitch pattern while changing the speaker identity. Some of the existing methods address this problem by either using a source-filter model or developing a neural network that takes an F0 pattern as input to the model. Although the latter approach can achieve relatively high sound quality compared to the former one, there is no consideration for discrepancy between the target and generated F0 patterns in its training process. In this paper, we propose a new variational-autoencoder-based voice conversion model accompanied by an auxiliary network, which ensures that the conversion result correctly reflects the specified F0/timbre information. We show the effectiveness of the proposed method by objective and subjective evaluations.

As a booming research area in the past decade, deep learning technologies have been driven by big data collected and processed on an unprecedented scale. However, the sensitive information in the collected training data raises privacy concerns. Recent research indicated that deep learning models are vulnerable to various privacy attacks, including membership inference attacks, attribute inference attacks, and gradient inversion attacks. It is noteworthy that the performance of the attacks varies from model to model. In this paper, we conduct empirical analyses to answer a fundamental question: Does model architecture affect model privacy? We investigate several representative model architectures from CNNs to Transformers, and show that Transformers are generally more vulnerable to privacy attacks than CNNs. We further demonstrate that the micro design of activation layers, stem layers, and bias parameters, are the major reasons why CNNs are more resilient to privacy attacks than Transformers. We also find that the presence of attention modules is another reason why Transformers are more vulnerable to privacy attacks. We hope our discovery can shed some new light on how to defend against the investigated privacy attacks and help the community build privacy-friendly model architectures.

Deep classifiers are known to rely on spurious features $\unicode{x2013}$ patterns which are correlated with the target on the training data but not inherently relevant to the learning problem, such as the image backgrounds when classifying the foregrounds. In this paper we evaluate the amount of information about the core (non-spurious) features that can be decoded from the representations learned by standard empirical risk minimization (ERM) and specialized group robustness training. Following recent work on Deep Feature Reweighting (DFR), we evaluate the feature representations by re-training the last layer of the model on a held-out set where the spurious correlation is broken. On multiple vision and NLP problems, we show that the features learned by simple ERM are highly competitive with the features learned by specialized group robustness methods targeted at reducing the effect of spurious correlations. Moreover, we show that the quality of learned feature representations is greatly affected by the design decisions beyond the training method, such as the model architecture and pre-training strategy. On the other hand, we find that strong regularization is not necessary for learning high quality feature representations. Finally, using insights from our analysis, we significantly improve upon the best results reported in the literature on the popular Waterbirds, CelebA hair color prediction and WILDS-FMOW problems, achieving 97%, 92% and 50% worst-group accuracies, respectively.

We study the classical problem of deriving minimax rates for density estimation over convex density classes. Building on the pioneering work of Le Cam (1973), Birge (1983, 1986), Wong and Shen (1995), Yang and Barron (1999), we determine the exact (up to constants) minimax rate over any convex density class. This work thus extends these known results by demonstrating that the local metric entropy of the density class always captures the minimax optimal rates under such settings. Our bounds provide a unifying perspective across both parametric and nonparametric convex density classes, under weaker assumptions on the richness of the density class than previously considered. Our proposed `multistage sieve' MLE applies to any such convex density class. We apply our risk bounds to rederive known minimax rates including bounded total variation, and Holder density classes. We further illustrate the utility of the result by deriving upper bounds for less studied classes, e.g., convex mixture of densities.

When robots enter everyday human environments, they need to understand their tasks and how they should perform those tasks. To encode these, reward functions, which specify the objective of a robot, are employed. However, designing reward functions can be extremely challenging for complex tasks and environments. A promising approach is to learn reward functions from humans. Recently, several robot learning works embrace this approach and leverage human demonstrations to learn the reward functions. Known as inverse reinforcement learning, this approach relies on a fundamental assumption: humans can provide near-optimal demonstrations to the robot. Unfortunately, this is rarely the case: human demonstrations to the robot are often suboptimal due to various reasons, e.g., difficulty of teleoperation, robot having high degrees of freedom, or humans' cognitive limitations. This thesis is an attempt towards learning reward functions from human users by using other, more reliable data modalities. Specifically, we study how reward functions can be learned using comparative feedback, in which the human user compares multiple robot trajectories instead of (or in addition to) providing demonstrations. To this end, we first propose various forms of comparative feedback, e.g., pairwise comparisons, best-of-many choices, rankings, scaled comparisons; and describe how a robot can use these various forms of human feedback to infer a reward function, which may be parametric or non-parametric. Next, we propose active learning techniques to enable the robot to ask for comparison feedback that optimizes for the expected information that will be gained from that user feedback. Finally, we demonstrate the applicability of our methods in a wide variety of domains, ranging from autonomous driving simulations to home robotics, from standard reinforcement learning benchmarks to lower-body exoskeletons.

Causal discovery aims to recover causal structures generating the observational data. Despite its success in certain problems, in many real-world scenarios the observed variables are not the target variables of interest, but the imperfect measures of the target variables. Causal discovery under measurement error aims to recover the causal graph among unobserved target variables from observations made with measurement error. We consider a specific formulation of the problem, where the unobserved target variables follow a linear non-Gaussian acyclic model, and the measurement process follows the random measurement error model. Existing methods on this formulation rely on non-scalable over-complete independent component analysis (OICA). In this work, we propose the Transformed Independent Noise (TIN) condition, which checks for independence between a specific linear transformation of some measured variables and certain other measured variables. By leveraging the non-Gaussianity and higher-order statistics of data, TIN is informative about the graph structure among the unobserved target variables. By utilizing TIN, the ordered group decomposition of the causal model is identifiable. In other words, we could achieve what once required OICA to achieve by only conducting independence tests. Experimental results on both synthetic and real-world data demonstrate the effectiveness and reliability of our method.

As a basic research problem for building effective recommender systems, post-click conversion rate (CVR) estimation has long been plagued by sample selection bias and data sparsity issues. To address the data sparsity issue, prevalent methods based on entire space multi-task model leverage the sequential pattern of user actions, i.e. exposure $\rightarrow$ click $\rightarrow$ conversion to construct auxiliary learning tasks. However, they still fall short of guaranteeing the unbiasedness of CVR estimates. This paper theoretically demonstrates two defects of these entire space multi-task models: (1) inherent estimation bias (IEB) for CVR estimation, where the CVR estimate is inherently higher than the ground truth; (2) potential independence priority (PIP) for CTCVR estimation, where the causality from click to conversion might be overlooked. This paper further proposes a principled method named entire space counterfactual multi-task model (ESCM$^2$), which employs a counterfactual risk minimizer to handle both IEB and PIP issues at once. To demonstrate the effectiveness of the proposed method, this paper explores its parameter tuning in practice, derives its analytic properties, and showcases its effectiveness in industrial CVR estimation, where ESCM$^2$ can effectively alleviate the intrinsic IEB and PIP issues and outperform baseline models.

We propose an analysis in fair learning that preserves the utility of the data while reducing prediction disparities under the criteria of group sufficiency. We focus on the scenario where the data contains multiple or even many subgroups, each with limited number of samples. As a result, we present a principled method for learning a fair predictor for all subgroups via formulating it as a bilevel objective. Specifically, the subgroup specific predictors are learned in the lower-level through a small amount of data and the fair predictor. In the upper-level, the fair predictor is updated to be close to all subgroup specific predictors. We further prove that such a bilevel objective can effectively control the group sufficiency and generalization error. We evaluate the proposed framework on real-world datasets. Empirical evidence suggests the consistently improved fair predictions, as well as the comparable accuracy to the baselines.

A natural goal in multiagent learning besides finding equilibria is to learn rationalizable behavior, where players learn to avoid iteratively dominated actions. However, even in the basic setting of multiplayer general-sum games, existing algorithms require a number of samples exponential in the number of players to learn rationalizable equilibria under bandit feedback. This paper develops the first line of efficient algorithms for learning rationalizable Coarse Correlated Equilibria (CCE) and Correlated Equilibria (CE) whose sample complexities are polynomial in all problem parameters including the number of players. To achieve this result, we also develop a new efficient algorithm for the simpler task of finding one rationalizable action profile (not necessarily an equilibrium), whose sample complexity substantially improves over the best existing results of Wu et al. (2021). Our algorithms incorporate several novel techniques to guarantee rationalizability and no (swap-)regret simultaneously, including a correlated exploration scheme and adaptive learning rates, which may be of independent interest. We complement our results with a sample complexity lower bound showing the sharpness of our guarantees.

Hypothesis testing and the usage of expert knowledge, or causal priors, has not been well explored in the context of generative models. We propose a novel set of generative architectures, Causal Gen and Causal Variational Gen, that can utilize nonparametric structural causal knowledge combined with a deep learning functional approximation. We show how, using a deliberate (non-random) split of training and testing data, these models can generalize better to similar, but out-of-distribution data points, than non-causal generative models and prediction models such as Variational autoencoders and Fully Connected Neural Networks. We explore using this generalization error as a proxy for causal model hypothesis testing. We further show how dropout can be used to learn functional relationships of structural models that are difficult to learn with traditional methods. We validate our methods on a synthetic pendulum dataset, as well as a trauma surgery ground level fall dataset.

Bagging is a commonly used ensemble technique in statistics and machine learning to improve the performance of prediction procedures. In this paper, we study the prediction risk of variants of bagged predictors in the proportional asymptotics regime, in which the ratio of the number of features to the number of observations converges to a constant. Specifically, we propose a general strategy to analyze prediction risk under squared error loss of bagged predictors using classical results on simple random sampling. Specializing the strategy, we derive the exact asymptotic risk of the bagged ridge and ridgeless predictors with an arbitrary number of bags under a well-specified linear model with arbitrary feature covariance matrices and signal vectors. Furthermore, we prescribe a generic cross-validation procedure to select the optimal subsample size for bagging and discuss its utility to mitigate the non-monotonic behavior of the limiting risk in the sample size (i.e., double or multiple descents). In demonstrating the proposed procedure for bagged ridge and ridgeless predictors, we thoroughly investigate oracle properties of the optimal subsample size, and provide an in-depth comparison between different bagging variants.

Bayesian variable selection methods are powerful techniques for fitting and inferring on sparse high-dimensional linear regression models. However, many are computationally intensive or require restrictive prior distributions on model parameters. Likelihood based penalization methods are more computationally friendly, but resource intensive refitting techniques are needed for inference. In this paper, we proposed an efficient and powerful Bayesian approach for sparse high-dimensional linear regression. Minimal prior assumptions on the parameters are required through the use of plug-in empirical Bayes estimates of hyperparameters. Efficient maximum a posteriori probability (MAP) estimation is completed through the use of a partitioned and extended expectation conditional maximization (ECM) algorithm. The result is a PaRtitiOned empirical Bayes Ecm (PROBE) algorithm applied to sparse high-dimensional linear regression. We propose methods to estimate credible and prediction intervals for predictions of future values. We compare the empirical properties of predictions and our predictive inference to comparable approaches with numerous simulation studies and an analysis of cancer cell lines drug response study. The proposed approach is implemented in the R package probe.

This paper integrates manifold learning techniques within a \emph{Gaussian process upper confidence bound} algorithm to optimize an objective function on a manifold. Our approach is motivated by applications where a full representation of the manifold is not available and querying the objective is expensive. We rely on a point cloud of manifold samples to define a graph Gaussian process surrogate model for the objective. Query points are sequentially chosen using the posterior distribution of the surrogate model given all previous queries. We establish regret bounds in terms of the number of queries and the size of the point cloud. Several numerical examples complement the theory and illustrate the performance of our method.

A confidence sequence (CS) is an anytime-valid sequential inference primitive which produces an adapted sequence of sets for a predictable parameter sequence with a time-uniform coverage guarantee. This work constructs a non-parametric non-asymptotic lower CS for the running average conditional expectation whose slack converges to zero given non-negative right heavy-tailed observations with bounded mean. Specifically, when the variance is finite the approach dominates the empirical Bernstein supermartingale of Howard et. al.; with infinite variance, can adapt to a known or unknown $(1 + \delta)$-th moment bound; and can be efficiently approximated using a sublinear number of sufficient statistics. In certain cases this lower CS can be converted into a closed-interval CS whose width converges to zero, e.g., any bounded realization, or post contextual-bandit inference with bounded rewards and unbounded importance weights. A reference implementation and example simulations demonstrate the technique.

In practice, multi-task learning (through learning features shared among tasks) is an essential property of deep neural networks (NNs). While infinite-width limits of NNs can provide good intuition for their generalization behavior, the well-known infinite-width limits of NNs in the literature (e.g., neural tangent kernels) assume specific settings in which wide ReLU-NNs behave like shallow Gaussian Processes with a fixed kernel. Consequently, in such settings, these NNs lose their ability to benefit from multi-task learning in the infinite-width limit. In contrast, we prove that optimizing wide ReLU neural networks with at least one hidden layer using L2-regularization on the parameters promotes multi-task learning due to representation-learning - also in the limiting regime where the network width tends to infinity. We present an exact quantitative characterization of this infinite width limit in an appropriate function space that neatly describes multi-task learning.

This paper considers the Pointer Value Retrieval (PVR) benchmark introduced in [ZRKB21], where a 'reasoning' function acts on a string of digits to produce the label. More generally, the paper considers the learning of logical functions with gradient descent (GD) on neural networks. It is first shown that in order to learn logical functions with gradient descent on symmetric neural networks, the generalization error can be lower-bounded in terms of the noise-stability of the target function, supporting a conjecture made in [ZRKB21]. It is then shown that in the distribution shift setting, when the data withholding corresponds to freezing a single feature (referred to as canonical holdout), the generalization error of gradient descent admits a tight characterization in terms of the Boolean influence for several relevant architectures. This is shown on linear models and supported experimentally on other models such as MLPs and Transformers. In particular, this puts forward the hypothesis that for such architectures and for learning logical functions such as PVR functions, GD tends to have an implicit bias towards low-degree representations, which in turn gives the Boolean influence for the generalization error under quadratic loss.

When applying differential privacy to sensitive data, a common way of getting improved performance is to use external information such as other sensitive data, public data, or human priors. We propose to use the algorithms with predictions framework -- previously applied largely to improve time complexity or competitive ratios -- as a powerful way of designing and analyzing privacy-preserving methods that can take advantage of such external information to improve utility. For four important tasks -- quantile release, its extension to multiple quantiles, covariance estimation, and data release -- we construct prediction-dependent differentially private methods whose utility scales with natural measures of prediction quality. The analyses enjoy several advantages, including minimal assumptions about the data, natural ways of adding robustness to noisy predictions, and novel "meta" algorithms that can learn predictions from other (potentially sensitive) data. Overall, our results demonstrate how to enable differentially private algorithms to make use of and learn noisy predictions, which holds great promise for improving utility while preserving privacy across a variety of tasks.

We introduce a modified version of the excess risk, which can be used to obtain tighter, fast-rate PAC-Bayesian generalisation bounds. This modified excess risk leverages information about the relative hardness of data examples to reduce the variance of its empirical counterpart, tightening the bound. We combine this with a new bound for $[-1, 1]$-valued (and potentially non-independent) signed losses, which is more favourable when they empirically have low variance around $0$. The primary new technical tool is a novel result for sequences of interdependent random vectors which may be of independent interest. We empirically evaluate these new bounds on a number of real-world datasets.

Halloween special 👻 submitted by /u/Available_Tadpole829 [link] [comments]  ( 114 min )

Join the Modzy team next Thursday October 27 at 12:30PM EDT for a tech talk on Choosing the Right Infrastructure for Production ML! Finding the right combination of infrastructure to support production AI at-scale can be time consuming and costly. In addition to identifying what kind of hardware can best support your production needs, picking the right deployment paradigm can save you thousands in cloud compute costs. This tech talk will walk you through how you to identify the right combination infrastructure to support your team’s needs for running inferences in production, at-scale. If you can't join live, the recording will be posted in the archives channel. Join the Discord Server. submitted by /u/modzykirsten [link] [comments]  ( 115 min )

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I played Skyrim a lot, but I can't remember all that stuff. The truth is, in Skyrim I learned how to cheat, how to die as a woman. I learned how to pick locks. I learned how to escape a prison, I learned how to walk in my underwear. I learned how to spell "Daedric". I learned a lot. But I don't think I learned how to fix myself. When I close my eyes, I see dragons. I hear battle cries. I smell smoke. I hear archers, I smell crossbows. I hear a choir of Amjadics. I hear a roar and a scream, the sound of arms on armor. It's cool in here. I need to get out. Notes: I just said everything that should be said here. Maybe the prologue should be a side quest. submitted by /u/Amick010502 [link] [comments]  ( 115 min )

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I tried using Nightcafe and I was fine with the whole daily credits stuff, but it doesn't seem to do any sexually-related pictures. I tried making a good picture out of this thing (picture below) and it gave me a bunch of random stuff (even though I set the noise to 20 percent). And it's not the first time that happends, I've literally NEVER seen that thing make ANYTHING hot. Almost like it can't. https://preview.redd.it/vaffory14zu91.jpg?width=680&format=pjpg&auto=webp&s=732551e1595d5717590699cfd5faff80caa35f10 Also, some combination of words are prohibited. Like, I wanted to make a male portrait younger, so I wrote "young boy", but it was blocked. Guess it was afraid I'm a pedophile. But even if I was, it's none of it's f*cking business. So basically I'm looking for an AI art generator that is: free, no trial or anything. doesn't censor hot stuff or "potential pedophiles". Are there any? Thanks in advance! submitted by /u/windowtwink [link] [comments]  ( 120 min )

Hi! I'm a philosphy student and i need to write a blogpost about whether or not there should be restrictions on scientific research. I decided to go with AI research, since it's a very relevant subject. I just need a somewhat controversial article about research that's done/being done on artificial intelligence. I've been looking online but I can't seem to find something fitting anywhere. Any help is welcome! ​ (English is not my first language, so if anything is unclear, let me know) submitted by /u/miemkwienn [link] [comments]  ( 117 min )

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Hello! Wonder if anyone has recommendations with AI that summarizes copy? Currently researching good AI tools that could summarize long textx/articles into concise, yet informative summaries (more like executive summaries). Have played around Jasper's text summarizer, however it only condense the article down to 1-2 sentences. This is not good enough if people want to get information in shorter time. Thank you in advance for the help! submitted by /u/sissiwang42 [link] [comments]  ( 127 min )

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Hey! Recently a friend and I started writing poetry on Medium using GPT-3 (we're also generating images for the poems using DALL-E 2). Our goal is to show people poetry through the lens of GPT-3. We want to demonstrate the creative power of AI in an unconventional field and showcase the unique insights GPT-3 has on philosphical topics. Please check us out and tell us what you think if this sounds interesting to you, we would really appreciate it! We're called Poetry by an AI (on Medium). submitted by /u/No_Transition_3704 [link] [comments]  ( 115 min )

Hi all! My team and I have checked the 5 most popular AI writing apps to see whether they can do their job as professionally as human copywriters. We’re so proud to share the results with you 😊 Copywriters are an essential part of any marketing team. However good your product is, no one will know about it without promotion. And promotion means copying, whether for Facebook ads or blog posts. So the need for copywriters lingers. Hell, if it didn’t, I would be out of a job 😅 However, at least, hiring a professional copywriter costs about $50k-$60k annually. This made us think: is there a cheaper way to produce copy? Enter, artificial intelligence (AI) copywriting software. The market is replete with options that can “create human-like copy instantly” — or so the app developers assure us. Is that really so? We decided to find out. submitted by /u/selzy_marketing [link] [comments]  ( 119 min )

A few weeks ago I was shown a demo of an AI art generator program that plugs into Adobe Photoshop. You can then draw in a super rough base and then the program extrapolate with that and a text description. But for the life of me I can’t remember what the program is called. All I can seem to remember is the name has something to do with an alpaca. (I know it sounds weird but I’m serious) Does anyone know the name of this program? I really want to get it but can’t find it. submitted by /u/Zummerz [link] [comments]  ( 115 min )

Check out this data-backed blog on trusting conversational commerce to achieve Holiday Sales goals: https://www.haptik.ai/blog/trust-conversational-commerce-achieve-holiday-sales-goals submitted by /u/Haptik-AI [link] [comments]  ( 115 min )

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Fillout is the first AI-powered form builder. Just describe your form and our AI will instantly generate a form for you to customize. We're live on Product hunt and would appreciate your support and feedback! https://www.producthunt.com/posts/fillout-com Check out the demo video on that post to see how the AI works and let me know if you have any questions - I'll be around :) submitted by /u/dominicwhyte42 [link] [comments]  ( 115 min )

Looks like AAAI has sent out an email saying reviews are up on CMT. Anybody else only have two reviews? I was expecting to have four, but they said in the email that 69% of papers have 4 or more and 96% have three or more. Guess I'm in the 4% with fewer than three! submitted by /u/CauseRevolutionary59 [link] [comments]  ( 125 min )

Question: Image classification network that can detect multiple classes in the same image I am trying to find a network that can detect multiple different classes in the same image, or even multiple objects of the same class in a single image. For instance instead of detecting of either a "hat" or an "umbrella" are in an image, one that can detect if both are in the image, or if there are 2 "hats". I'm trying to find one that doesn't use bounding box regression because where the images are isnt really important for my project. Sorry if this is a dumb question I am very new to this. submitted by /u/Political_Target [link] [comments]  ( 130 min )

Hi, I’m currently working on detecting cancer type along with test for cancer using CT images . Problem I’m facing is huge dataset (nearly 1.5 lakhs of image sets) and I need to train my model . Would you advise me to manually classify myself for few samples and supervise the model or is there any unsupervised learning model I can refer , to train such a huge dataset ? submitted by /u/Zeitreisender2050 [link] [comments]  ( 126 min )

My ML team is looking to buy/source a dataset of videos of people performing certain niche tasks to train a business-critical model. From our research, it seems like Scale AI, Toloka, Appen, Defined AI, and Clickworker offer solutions in that space. Has anyone used any of these before and would recommend (or recommend avoiding) them? Are we better off just running the crowdsourcing of the data in-house? submitted by /u/quantifiedvagabond [link] [comments]  ( 128 min )

Hi everyone I am an an architecture student and I’m doing my master project on computational architecture. The abstract of what I’m trying to achieve is a live transformable space in a 3D program (Unity 3D) that changes based on a EEG device data (change based on your feeling or what you think etc). Thought my knowledge on computation is limited, and I’m looking for already made algorithms (maybe ready neural networks to train) to put together for the project, rather that reinventing the wheel. I’m pretty early on in my research and I wanted to ask you for what fields should I look into and in general anything that you think might be helpful. ​ This video sparked the hole idea. I was interested in moving his project into 3D space. I’m not sure how AI applies here, to me it seems like just a visualisation of the data from the EEG device. How do you think it is made? https://www.youtube.com/watch?v=Y865Nxa5sW4 ​ In this simpler version it is shown that the data from the devise feeds in a flocking algorithm (which I’ve seems easily created in Unity before). https://www.youtube.com/watch?v=wkL_LihsRVw&list=LL&index=3 ​ ​ ​ Thanks in advance everyone! submitted by /u/Chris1Snea [link] [comments]  ( 128 min )

I’m reading up on diffusion models, and these seem to be two dominant approaches. They are also equivalent in some parameterization of the formulations. However, the more recent papers, for example stable diffusion, seem to use DDPM-type formulation more often, and by this I mean they learn the noise rather than the score. Is this observation true? And if it is, what are some reasons? I’ve never implemented a model like this myself, so I don’t know how difficult or practical they are. Perhaps all the issues listed in the score matching papers (manifold hypothesis, low data density regions, inaccurate score estimation) make it really difficult to work with, or is there something more fundamental? Thanks in advance! submitted by /u/WallabyDue2778 [link] [comments]  ( 131 min )

I need to apply deep neural networks to a scenario where the network input is a noisy discrete value, and I have an estimate of its distribution. For example, the network takes the number of people currently in a building as input. I have a probability distribution over the possible values instead of having the exact number of people. I'm interested in any work that enables neural networks to read a distribution as input (might be continuous or discrete, uni-modal or multi-modal) and process it efficiently submitted by /u/fedetask [link] [comments]  ( 130 min )

Just introduce the new python package for easily using mini-imagenet and tiny-imagenet: MLclf. Training the full imagenet dataset (1k classes) needs a high computational resource, it is usually hard to quickly check your model on your local or personal computer. The mini-imagenet (100 classes) and tiny-imagenet (200 classes) are way more friendly on a local or personal computer, but the format of them are not friendly for the classical or traditional classification task, e.g. the original raw mini-imagenet data is divided into training/validation/testing sets for the few-shot or meta learning task. You can easily use the python package MLclf to download and transform the mini-imagenet data and tiny-imagenet for the traditional image classification task or the meta-learning task. just use: pip install MLclf Training the full imagenet dataset (1k classes) needs a high computational resource, it is usually hard to quickly check your model on your local or personal computer. The mini-imagenet (100 classes) and tiny-imagenet (200 classes) are way more friendly on a local or personal computer, but the format of them are not friendly for the classical or traditional classification task, e.g. the original raw mini-imagenet data is divided into training/validation/testing sets for the few-shot or meta learning task. from MLclf import MLclf MLclf.miniimagenet_download(Download=True) MLclf.tinyimagenet_download(Download=True) You can also see for more details: https://github.com/tiger2017/MLclf submitted by /u/supercxman [link] [comments]  ( 127 min )

I happy to share our latest repository for making the TensorFlow C++ API more accessible! We now provide a pre-built library and a Docker image for easy installation and usage of the TensorFlow C++ API at https://github.com/ika-rwth-aachen/libtensorflow_cc. In order to, e.g., run TensorFlow models from C++ source code, one usually needs to build the C++ API in the form of the libtensorflow_cc.so library from source. There is no official release of the library and the build from source is only sparsely documented. We try to remedy this current situation by providing two main components: We provide the pre-built libtensorflow_cc.so including accompanying headers as a one-command-install deb-package. We provide a pre-built Docker image based on the official TensorFlow Docker image. Our Docker image has both TensorFlow Python and TensorFlow C++ installed. Try it out yourself by running the example application: git clone https://github.com/ika-rwth-aachen/libtensorflow_cc.git && \ cd libtensorflow_cc && \ docker run --rm \ --volume $(pwd)/example:/example \ --workdir /example \ rwthika/tensorflow-cc:latest \ ./build-and-run.sh While we currently only support x86_64 machines running Ubuntu, this could easily be extended to other OS and platforms in the future. Except for a some exceptions, all TensorFlow versions from 2.0.0 through 2.9.2 are available, 2.10.0 coming soon. If you want to use the TensorFlow C++ API to load, inspect, and run saved models and frozen graphs in C++, we suggest that you also check out our helper library tensorflow_cpp. Looking forward to hearing some feedback from you, thanks! Lennart submitted by /u/lennart-reiher-ika [link] [comments]  ( 129 min )

Hey all! My name is Louis Castricato. I lead CarperAI, a large FOSS group that recently released a library for doing distributed RLHF. We just announced a project today during Scale's TransformX conference to reimplement Instruct GPT, make all the datasets available as MIT, and release our checkpoints/models. I'm super interested in the democratization of large scale RLHF, as I feel it's a relatively unexplored space in the open source community. To that end, we'd love to get the subreddit and community more involved in our task selection process for our instruct model. We'll be hosting a panel on this in a few weeks, so I'm curious r/machinelearning, what kinds of tasks would you love to see an instruct model tuned on if you had infinite resources? Here is our instruct announcement: https://carper.ai/instruct-gpt-announcement/ And a link to our discussion panel on the CarperAI discord: https://discord.gg/cCR3xEAt?event=1029746950305751141 Excited to hear your thoughts! submitted by /u/FerretDude [link] [comments]  ( 126 min )

Notebook/ tutorial implementing the iclr outstanding paper recipient paper : https://www.kaggle.com/code/infocusp/diffstride-explainable-notebook submitted by /u/optimistdit [link] [comments]  ( 126 min )

I'll keep it simple, suppose you have images taken from a camera A, and other images which have been taken from other different cameras (B,C,D and so on). Can you train a model such that when you input an image from B,C,D... cameras it "changes" it into an image such that it would seem that it's taken from camera A. Any kind of approaches are fine, this question is just out of curiosity. Let's discuss in the comments ! submitted by /u/baby_yoda_fangay [link] [comments]  ( 127 min )

Hi Everyone, I'd like to train a language representation model (say BERT or derivatives) on half a billion text documents. Each document is not particularly long (one-two pages) but the data cannot be moved to the cloud. I've never developed any models at this scale and was wondering if you could recommend an appropriate hardware setup for this project - perhaps going from "absolute dream configuration" to "expensive but more realistic". Much appreciated. submitted by /u/medcode [link] [comments]  ( 128 min )

I am working a biomedical imaging project where a group of doctors annotated short time lapses where a given event of interest occurred in a video. I would like to measure the Inter rater reliability, and the first think that comes into my mind is to use the Cohen’s kappa converting the time-lapse annotations into frame-wise annotations. However, given that this is a detections task, the problem in highly unbalanced and therefore the Cohen’s score will be biased. What options do we have ? submitted by /u/ManuelRios18 [link] [comments]  ( 127 min )

Hi, First time to NeurIPS with a poster, and I noticed we need to submit 5-minute videos presenting our research. I was just wondering if anyone has done this before. I assume this is a 5-minute presentation with a few slides, but I've seen a few people show their poster instead and discuss it. I wanted to check if anyone had links to good examples of these 5-minute poster presentation videos. Or any tips/advice. Thanks! submitted by /u/VirtualHat [link] [comments]  ( 125 min )

Hi everyone. We recently launched our call for the scholars program, a 8 month full-time entry point into machine learning research to pursue curiosity driven research w access to large scale engineering resources and mentorship. We have intentionally structured the program to be paid and remote-first so we can support talent all across the world. Our deadline is coming up on November 7th, and as of now, our pool of candidates is still indexing heavily on the US and Canada. In addition to the impressive candidates in these countries, I would welcome any help sharing this opportunity with ML communities around the world. More details below for anyone interested: The Cohere For AI Scholars Program supports the next generation of rising stars as they embark on their research journey by providing an alternative point of entry into NLP research. Scholars will have access to a large-scale experimental framework and work alongside some of the best researchers and engineering expertise in the world. Participation is full-time, remote-first and paid.For more details, check out our blog post announcing the Scholars Program launch. Applications are open until November 7, 2022, and can be found here. submitted by /u/ml_magic_ [link] [comments]  ( 138 min )

Posted by Wenhao Yu, Research Scientist, Robotics at Google, and Kuang-Huei Lee, Research Engineer, Google Research, Brain team Evolution strategy (ES) is a family of optimization techniques inspired by the ideas of natural selection: a population of candidate solutions are usually evolved over generations to better adapt to an optimization objective. ES has been applied to a variety of challenging decision making problems, such as legged locomotion, quadcopter control, and even power system control. Compared to gradient-based reinforcement learning (RL) methods like proximal policy optimization (PPO) and soft actor-critic (SAC), ES has several advantages. First, ES directly explores in the space of controller parameters, while gradient-based methods often explore within a limited actio…  ( 25 min )

Posted by Junjie Ke, Senior Software Engineer, and Feng Yang, Senior Staff Software Engineer, Google Research Understanding the aesthetic and technical quality of images is important for providing a better user visual experience. Image quality assessment (IQA) uses models to build a bridge between an image and a user's subjective perception of its quality. In the deep learning era, many IQA approaches, such as NIMA, have achieved success by leveraging the power of convolutional neural networks (CNNs). However, CNN-based IQA models are often constrained by the fixed-size input requirement in batch training, i.e., the input images need to be resized or cropped to a fixed size shape. This preprocessing is problematic for IQA because images can have very different aspect ratios and resolutions…  ( 26 min )

Collecting and annotating image data is one of the most resource-intensive tasks on any computer vision project. It can take months at a time to fully collect, analyze, and experiment with image streams at the level you need in order to compete in the current marketplace. Even after you’ve successfully collected data, you still have […]  ( 22 min )

Amazon SageMaker and SageMaker inference endpoints provide a capability of training and deploying your AI and machine learning (ML) workloads. With inference endpoints, you can deploy your models for real-time or batch inference. The endpoints support various types of ML models hosted using AWS Deep Learning Containers or your own containers with custom AI/ML algorithms. […]  ( 9 min )

Paper: https://arxiv.org/abs/2210.05805 Code: https://github.com/facebookresearch/e3b Website: https://e3bagent.github.io/ Abstract: In recent years, a number of reinforcement learning (RL) methods have been proposed to explore complex environments which differ across episodes. In this work, we show that the effectiveness of these methods critically relies on a count-based episodic term in their exploration bonus. As a result, despite their success in relatively simple, noise-free settings, these methods fall short in more realistic scenarios where the state space is vast and prone to noise. To address this limitation, we introduce Exploration via Elliptical Episodic Bonuses (E3B), a new method which extends count-based episodic bonuses to continuous state spaces and encourages an agent to explore states that are diverse under a learned embedding within each episode. The embedding is learned using an inverse dynamics model in order to capture controllable aspects of the environment. Our method sets a new state-of-the-art across 16 challenging tasks from the MiniHack suite, without requiring task-specific inductive biases. E3B also matches existing methods on sparse reward, pixel-based VizDoom environments, and outperforms existing methods in reward-free exploration on Habitat, demonstrating that it can scale to high-dimensional pixel-based observations and realistic environments. ​ ​ submitted by /u/viv1a [link] [comments]  ( 117 min )

submitted by /u/gwern [link] [comments]  ( 115 min )

I want to solve breakout using REINFORCE as my policy gradient algorithm and just need a little clarity. State and feature vector representation: For the value network: I'm planning to go with the same deepmind representation (84x84x4) as the network input and 1 output node for the state value For the policy network: I was planning (84x84x4) as the input and softmax output of size (n_actions) I'm not able to understand how to call the update step using any framework (tf/torch), what should my loss function be and with what terms should it be called? How do I accommodate the delta term in my networks? How do I add the "ln" term in the policy network? Do I do something life tf.log(action_preference) on my action outputs then compute gradients? https://preview.redd.it/bcnykxx27zu91.png?width=1207&format=png&auto=webp&s=ed1199ddd92bf0f36c8b1e83d021185be1645b99 submitted by /u/anuraagshankar [link] [comments]  ( 118 min )

I am currently working on a custom reinforcement environment using the Gym library. When trying to train an agent using Deep Reinforcement Learning with keras-rl2, I was getting strange errors. After googling for a few days to find the cause, I found a statement that keras-rl2 is deprecated and should no longer be used. After further research, I found a post that said that for reinforcement learning, pytorch is mainly used nowadays and not keras for the neural network part. Now I am very confused what are today's state of the art tools used in reinforcement learning. Thanks a lot for your advice! Moreover, I would be very grateful to get some links to tutorials or YouTube videos on their usage. submitted by /u/un_defined2020 [link] [comments]  ( 112 min )

I've only taken an intro to psychology course and know little about AI/ML. What I know is that rewards and punishments are used in reinforcing behavior which I assume is replicated in ML reinforcement learning models. submitted by /u/Ok-Joke-4110 [link] [comments]  ( 118 min )

This week vincentfunart and retromanni discuss how they collaborate to create some amazing art  ( 6 min )

Introduction Continue reading on Becoming Human: Artificial Intelligence Magazine »  ( 10 min )

Step-by-step walkthrough on lip-syncing with Wav2Lip  ( 10 min )

A new method uses optics to accelerate machine-learning computations on smart speakers and other low-power connected devices.  ( 8 min )

I wrote last week that the eccentricities of planet orbits in our solar system do not effect the shape of the orbit very much. Here’s a plot of all the orbits, shifted to have the same center and scaled to have the same minor axis. However, the planet orbits do not have a common center. […] How eccentricity matters first appeared on John D. Cook.  ( 5 min )

The most common way to define an ellipse geometrically is as the set of points whose distances to two foci sum to a constant. There is another way, however, to define an ellipse that generalizes to include the two other conic sections, parabolas and hyperbolas. You can define a conic section as the set of […] Directrix of a conic first appeared on John D. Cook.  ( 5 min )

Ellipses have been studied for over two thousand years, and so some of the terminology is ancient and sounds odd to modern ears. One such term is latus rectum. What is the latus rectum and does have it anything to do with anatomy? This post defines the latus rectum for an ellipse. See the next […] Latus rectum of an ellipse first appeared on John D. Cook.  ( 5 min )

The Gini coefficient, a.k.a. Gini index, of a set of numbers is the average of all differences divided by twice the mean. Specifically, let Then the Gini coefficient of x is defined to be where μ is the mean of the set. The Gini coefficient is often used in economics to measure inequalities in wealth. […] Inequalities for inequality: Gini coefficient lower bounds first appeared on John D. Cook.  ( 5 min )

GeForce NOW expands touch control support to 13 more games this GFN Thursday. That means it’s easier than ever to take PC gaming on the go using mobile devices and tablets. The new “Mobile Touch Controls” row in the GeForce NOW app is the easiest way for members to find which games put the action Read article > The post Get in Touch With New Mobile Gaming Controls on GeForce NOW appeared first on NVIDIA Blog.  ( 6 min )

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. The combination of these properties has led to many advances in semi-supervised learning, generative modeling, and control of dynamical systems. However, learning smooth functions is generally challenging, except in simple cases such as learning linear or kernel models. Typical methods are either too conservative, relying on crude upper bounds such as spectral normalization, too lax, penalizing smoothness on average, or too computationally intensive, requiring the solution of large-scale semi-definite programs. These issues are only exacerbated when trying to simultaneously exploit low dimensionality using, e.g., manifolds. This work proposes to overcome these obstacles by combining techniques from semi-infinite constrained learning and manifold regularization. To do so, it shows that, under typical conditions, the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. We prove that, under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Numerical examples illustrate the advantages of using this method to impose global smoothness on manifolds as opposed to imposing smoothness on average.  ( 3 min )

Probabilistic, hierarchically coherent forecasting is a key problem in many practical forecasting applications -- the goal is to obtain coherent probabilistic predictions for a large number of time series arranged in a pre-specified tree hierarchy. In this paper, we present a probabilistic top-down approach to hierarchical forecasting that uses a novel attention-based RNN model to learn the distribution of the proportions according to which each parent prediction is split among its children nodes at any point in time. These probabilistic proportions are then coupled with an independent univariate probabilistic forecasting model for the root time series. The resulting forecasts are naturally coherent, and provide probabilistic predictions over all time series in the hierarchy. We experiment on several public datasets and demonstrate significant improvements up to 27% on most datasets compared to state-of-the-art probabilistic hierarchical models. Finally, we also provide theoretical justification for the superiority of our top-down approach compared to traditional bottom-up modeling.

Due to the widespread use of complex machine learning models in real-world applications, it is becoming critical to explain model predictions. However, these models are typically black-box deep neural networks, explained post-hoc via methods with known faithfulness limitations. Generalized Additive Models (GAMs) are an inherently interpretable class of models that address this limitation by learning a non-linear shape function for each feature separately, followed by a linear model on top. However, these models are typically difficult to train, require numerous parameters, and are difficult to scale. We propose an entirely new subfamily of GAMs that utilizes basis decomposition of shape functions. A small number of basis functions are shared among all features, and are learned jointly for a given task, thus making our model scale much better to large-scale data with high-dimensional features, especially when features are sparse. We propose an architecture denoted as the Neural Basis Model (NBM) which uses a single neural network to learn these bases. On a variety of tabular and image datasets, we demonstrate that for interpretable machine learning, NBMs are the state-of-the-art in accuracy, model size, and, throughput and can easily model all higher-order feature interactions. Source code is available at https://github.com/facebookresearch/nbm-spam.

The question of answering queries over ML predictions has been gaining attention in the database community. This question is challenging because the cost of finding high quality answers corresponds to invoking an oracle such as a human expert or an expensive deep neural network model on every single item in the DB and then applying the query. We develop a novel unified framework for approximate query answering by leveraging a proxy to minimize the oracle usage of finding high quality answers for both Precision-Target (PT) and Recall-Target (RT) queries. Our framework uses a judicious combination of invoking the expensive oracle on data samples and applying the cheap proxy on the objects in the DB. It relies on two assumptions. Under the Proxy Quality assumption, proxy quality can be quantified in a probabilistic manner w.r.t. the oracle. This allows us to develop two algorithms: PQA that efficiently finds high quality answers with high probability and no oracle calls, and PQE, a heuristic extension that achieves empirically good performance with a small number of oracle calls. Alternatively, under the Core Set Closure assumption, we develop two algorithms: CSC that efficiently returns high quality answers with high probability and minimal oracle usage, and CSE, which extends it to more general settings. Our extensive experiments on five real-world datasets on both query types, PT and RT, demonstrate that our algorithms outperform the state-of-the-art and achieve high result quality with provable statistical guarantees.

Cujo AI and Adversa AI hosted the MLSec face recognition challenge. The goal was to attack a black box face recognition model with targeted attacks. The model returned the confidence of the target class and a stealthiness score. For an attack to be considered successful the target class has to have the highest confidence among all classes and the stealthiness has to be at least 0.5. In our approach we paste the face of a target into a source image. By utilizing position, scaling, rotation and transparency attributes we reached 3rd place. Our approach took approximately 200 queries per attack for the final highest score and about ~7.7 queries minimum for a successful attack. The code is available at https://github.com/bunni90/FacePastingAttack .

Specifying rewards for reinforcement learned (RL) agents is challenging. Preference-based RL (PbRL) mitigates these challenges by inferring a reward from feedback over sets of trajectories. However, the effectiveness of PbRL is limited by the amount of feedback needed to reliably recover the structure of the target reward. We present the PRIor Over Rewards (PRIOR) framework, which incorporates priors about the structure of the reward function and the preference feedback into the reward learning process. Imposing these priors as soft constraints on the reward learning objective reduces the amount of feedback required by half and improves overall reward recovery. Additionally, we demonstrate that using an abstract state space for the computation of the priors further improves the reward learning and the agent's performance.

Variance reduction techniques such as SPIDER/SARAH/STORM have been extensively studied to improve the convergence rates of stochastic non-convex optimization, which usually maintain and update a sequence of estimators for a single function across iterations. What if we need to track multiple functional mappings across iterations but only with access to stochastic samples of $\mathcal{O}(1)$ functional mappings at each iteration? There is an important application in solving an emerging family of coupled compositional optimization problems in the form of $\sum_{i=1}^m f_i(g_i(\mathbf{w}))$, where $g_i$ is accessible through a stochastic oracle. The key issue is to track and estimate a sequence of $\mathbf g(\mathbf{w})=(g_1(\mathbf{w}), \ldots, g_m(\mathbf{w}))$ across iterations, where $\mathbf g(\mathbf{w})$ has $m$ blocks and it is only allowed to probe $\mathcal{O}(1)$ blocks to attain their stochastic values and Jacobians. To improve the complexity for solving these problems, we propose a novel stochastic method named Multi-block-Single-probe Variance Reduced (MSVR) estimator to track the sequence of $\mathbf g(\mathbf{w})$. It is inspired by STORM but introduces a customized error correction term to alleviate the noise not only in stochastic samples for the selected blocks but also in those blocks that are not sampled. With the help of the MSVR estimator, we develop several algorithms for solving the aforementioned compositional problems with improved complexities across a spectrum of settings with non-convex/convex/strongly convex/Polyak-{\L}ojasiewicz (PL) objectives. Our results improve upon prior ones in several aspects, including the order of sample complexities and dependence on the strong convexity parameter. Empirical studies on multi-task deep AUC maximization demonstrate the better performance of using the new estimator.

Approximate Nearest Neighbor Search (ANNS) in high dimensional spaces is crucial for many real-life applications (e.g., e-commerce, web, multimedia, etc.) dealing with an abundance of data. This paper proposes an end-to-end learning framework that couples the partitioning (one critical step of ANNS) and learning-to-search steps using a custom loss function. A key advantage of our proposed solution is that it does not require any expensive pre-processing of the dataset, which is one of the critical limitations of the state-of-the-art approach. We achieve the above edge by formulating a multi-objective custom loss function that does not need ground truth labels to quantify the quality of a given data-space partition, making it entirely unsupervised. We also propose an ensembling technique by adding varying input weights to the loss function to train an ensemble of models to enhance the search quality. On several standard benchmarks for ANNS, we show that our method beats the state-of-the-art space partitioning method and the ubiquitous K-means clustering method while using fewer parameters and shorter offline training times. We also show that incorporating our space-partitioning strategy into state-of-the-art ANNS techniques such as ScaNN can improve their performance significantly. Finally, we present our unsupervised partitioning approach as a promising alternative to many widely used clustering methods, such as K-means clustering and DBSCAN.

A big convergence of model architectures across language, vision, speech, and multimodal is emerging. However, under the same name "Transformers", the above areas use different implementations for better performance, e.g., Post-LayerNorm for BERT, and Pre-LayerNorm for GPT and vision Transformers. We call for the development of Foundation Transformer for true general-purpose modeling, which serves as a go-to architecture for various tasks and modalities with guaranteed training stability. In this work, we introduce a Transformer variant, named Magneto, to fulfill the goal. Specifically, we propose Sub-LayerNorm for good expressivity, and the initialization strategy theoretically derived from DeepNet for stable scaling up. Extensive experiments demonstrate its superior performance and better stability than the de facto Transformer variants designed for various applications, including language modeling (i.e., BERT, and GPT), machine translation, vision pretraining (i.e., BEiT), speech recognition, and multimodal pretraining (i.e., BEiT-3).

Substantial work indicates that the dynamics of neural networks (NNs) is closely related to their initialization of parameters. Inspired by the phase diagram for two-layer ReLU NNs with infinite width (Luo et al., 2021), we make a step towards drawing a phase diagram for three-layer ReLU NNs with infinite width. First, we derive a normalized gradient flow for three-layer ReLU NNs and obtain two key independent quantities to distinguish different dynamical regimes for common initialization methods. With carefully designed experiments and a large computation cost, for both synthetic datasets and real datasets, we find that the dynamics of each layer also could be divided into a linear regime and a condensed regime, separated by a critical regime. The criteria is the relative change of input weights (the input weight of a hidden neuron consists of the weight from its input layer to the hidden neuron and its bias term) as the width approaches infinity during the training, which tends to $0$, $+\infty$ and $O(1)$, respectively. In addition, we also demonstrate that different layers can lie in different dynamical regimes in a training process within a deep NN. In the condensed regime, we also observe the condensation of weights in isolated orientations with low complexity. Through experiments under three-layer condition, our phase diagram suggests a complicated dynamical regimes consisting of three possible regimes, together with their mixture, for deep NNs and provides a guidance for studying deep NNs in different initialization regimes, which reveals the possibility of completely different dynamics emerging within a deep NN for its different layers.

Object Rearrangement is to move objects from an initial state to a goal state. Here, we focus on a more practical setting in object rearrangement, i.e., rearranging objects from shuffled layouts to a normative target distribution without explicit goal specification. However, it remains challenging for AI agents, as it is hard to describe the target distribution (goal specification) for reward engineering or collect expert trajectories as demonstrations. Hence, it is infeasible to directly employ reinforcement learning or imitation learning algorithms to address the task. This paper aims to search for a policy only with a set of examples from a target distribution instead of a handcrafted reward function. We employ the score-matching objective to train a Target Gradient Field (TarGF), indicating a direction on each object to increase the likelihood of the target distribution. For object rearrangement, the TarGF can be used in two ways: 1) For model-based planning, we can cast the target gradient into a reference control and output actions with a distributed path planner; 2) For model-free reinforcement learning, the TarGF is not only used for estimating the likelihood-change as a reward but also provides suggested actions in residual policy learning. Experimental results in ball and room rearrangement demonstrate that our method significantly outperforms the state-of-the-art methods in the quality of the terminal state, the efficiency of the control process, and scalability.

Graph neural networks (GNNs) have recently exploded in popularity thanks to their broad applicability to graph-related problems such as quantum chemistry, drug discovery, and high energy physics. However, meeting demand for novel GNN models and fast inference simultaneously is challenging due to the gap between developing efficient accelerators and the rapid creation of new GNN models. Prior art focuses on accelerating specific classes of GNNs, such as Graph Convolutional Networks (GCN), but lacks generality to support a wide range of existing or new GNN models. Furthermore, most works rely on graph pre-processing to exploit data locality, making them unsuitable for real-time applications. To address these limitations, in this work, we propose a generic dataflow architecture for GNN acceleration, named FlowGNN, which is generalizable to the majority of message-passing GNNs. The contributions are three-fold. First, we propose a novel and scalable dataflow architecture, which generally supports a wide range of GNN models with message-passing mechanism. The architecture features a configurable dataflow optimized for simultaneous computation of node embedding, edge embedding, and message passing, which is generally applicable to all models. We also propose a rich library of model-specific components. Second, we deliver ultra-fast real-time GNN inference without any graph pre-processing, making it agnostic to dynamically changing graph structures. Third, we verify our architecture on the Xilinx Alveo U50 FPGA board and measure the on-board end-to-end performance. We achieve a speed-up of up to 24-254x against CPU (6226R) and 1.3-477x against GPU (A6000) (with batch sizes 1 through 1024); we also outperform the SOTA GNN accelerator I-GCN by 1.26x speedup and 1.55x energy efficiency over four datasets. Our implementation code and on-board measurement are publicly available on GitHub.

In this work, we provide a fundamental unified convergence theorem used for deriving expected and almost sure convergence results for a series of stochastic optimization methods. Our unified theorem only requires to verify several representative conditions and is not tailored to any specific algorithm. As a direct application, we recover expected and almost sure convergence results of the stochastic gradient method (SGD) and random reshuffling (RR) under more general settings. Moreover, we establish new expected and almost sure convergence results for the stochastic proximal gradient method (prox-SGD) and stochastic model-based methods (SMM) for nonsmooth nonconvex optimization problems. These applications reveal that our unified theorem provides a plugin-type convergence analysis and strong convergence guarantees for a wide class of stochastic optimization methods.

Backdoor learning is an emerging and vital topic for studying deep neural networks' vulnerability (DNNs). Many pioneering backdoor attack and defense methods are being proposed, successively or concurrently, in the status of a rapid arms race. However, we find that the evaluations of new methods are often unthorough to verify their claims and accurate performance, mainly due to the rapid development, diverse settings, and the difficulties of implementation and reproducibility. Without thorough evaluations and comparisons, it is not easy to track the current progress and design the future development roadmap of the literature. To alleviate this dilemma, we build a comprehensive benchmark of backdoor learning called BackdoorBench. It consists of an extensible modular-based codebase (currently including implementations of 8 state-of-the-art (SOTA) attacks and 9 SOTA defense algorithms) and a standardized protocol of complete backdoor learning. We also provide comprehensive evaluations of every pair of 8 attacks against 9 defenses, with 5 poisoning ratios, based on 5 models and 4 datasets, thus 8,000 pairs of evaluations in total. We present abundant analysis from different perspectives about these 8,000 evaluations, studying the effects of different factors in backdoor learning. All codes and evaluations of BackdoorBench are publicly available at \url{https://backdoorbench.github.io}.

Graph Machine Learning (GraphML), whereby classical machine learning is generalized to irregular graph domains, has enjoyed a recent renaissance, leading to a dizzying array of models and their applications in several domains. With its growing applicability to sensitive domains and regulations by governmental agencies for trustworthy AI systems, researchers have started looking into the issues of transparency and privacy of graph learning. However, these topics have been mainly investigated independently. In this position paper, we provide a unified perspective on the interplay of privacy and transparency in GraphML. In particular, we describe the challenges and possible research directions for a formal investigation of privacy-transparency tradeoffs in GraphML.

Outlier detection (OD) literature exhibits numerous algorithms as it applies to diverse domains. However, given a new detection task, it is unclear how to choose an algorithm to use, nor how to set its hyperparameter(s) (HPs) in unsupervised settings. HP tuning is an ever-growing problem with the arrival of many new detectors based on deep learning, which usually come with a long list of HPs. Surprisingly, the issue of model selection in the outlier mining literature has been "the elephant in the room"; a significant factor in unlocking the utmost potential of deep methods, yet little said or done to systematically tackle the issue. In the first part of this paper, we conduct the first large-scale analysis on the HP sensitivity of deep OD methods, and through more than 35,000 trained models, quantitatively demonstrate that model selection is inevitable. Next, we design a HP-robust and scalable deep hyper-ensemble model called ROBOD that assembles models with varying HP configurations, bypassing the choice paralysis. Importantly, we introduce novel strategies to speed up ensemble training, such as parameter sharing, batch/simultaneous training, and data subsampling, that allow us to train fewer models with fewer parameters. Extensive experiments on both image and tabular datasets show that ROBOD achieves and retains robust, state-of-the-art detection performance as compared to its modern counterparts, while taking only $2$-$10$\% of the time by the naive hyper-ensemble with independent training.

Personalized chatbots focus on endowing the chatbots with a consistent personality to behave like real users and further act as personal assistants. Previous studies have explored generating implicit user profiles from the user's dialogue history for building personalized chatbots. However, these studies only use the response generation loss to train the entire model, thus it is prone to suffer from the problem of data sparsity. Besides, they overemphasize the final generated response's quality while ignoring the correlations and fusions between the user's dialogue history, leading to rough data representations and performance degradation. To tackle these problems, we propose a self-supervised learning framework MCP for capturing better representations from users' dialogue history for personalized chatbots. Specifically, we apply contrastive sampling methods to leverage the supervised signals hidden in user dialog history, and generate the pre-training samples for enhancing the model. We design three pre-training tasks based on three types of contrastive pairs from user dialogue history, namely response pairs, sequence augmentation pairs, and user pairs. We pre-train the utterance encoder and the history encoder towards the contrastive objectives and use these pre-trained encoders for generating user profiles while personalized response generation. Experimental results on two real-world datasets show a significant improvement in our proposed model MCP compared with the existing methods.

We study differentially private (DP) algorithms for smooth stochastic minimax optimization, with stochastic minimization as a byproduct. The holy grail of these settings is to guarantee the optimal trade-off between the privacy and the excess population loss, using an algorithm with a linear time-complexity in the number of training samples. We provide a general framework for solving differentially private stochastic minimax optimization (DP-SMO) problems, which enables the practitioners to bring their own base optimization algorithm and use it as a black-box to obtain the near-optimal privacy-loss trade-off. Our framework is inspired from the recently proposed Phased-ERM method [22] for nonsmooth differentially private stochastic convex optimization (DP-SCO), which exploits the stability of the empirical risk minimization (ERM) for the privacy guarantee. The flexibility of our approach enables us to sidestep the requirement that the base algorithm needs to have bounded sensitivity, and allows the use of sophisticated variance-reduced accelerated methods to achieve near-linear time-complexity. To the best of our knowledge, these are the first near-linear time algorithms with near-optimal guarantees on the population duality gap for smooth DP-SMO, when the objective is (strongly-)convex--(strongly-)concave. Additionally, based on our flexible framework, we enrich the family of near-linear time algorithms for smooth DP-SCO with the near-optimal privacy-loss trade-off.

Knowledge tracing and dropout prediction are crucial for online education to estimate students' knowledge states or to prevent dropout rates. While traditional systems interacting with students suffered from data sparsity and overfitting, recent sample-level contrastive learning helps to alleviate this issue. One major limitation of sample-level approaches is that they regard students' behavior interaction sequences as a bundle, so they often fail to encode temporal contexts and track their dynamic changes, making it hard to find optimal representations for knowledge tracing and dropout prediction. To apply temporal context within the sequence, this study introduces a novel student modeling framework, SAICL: \textbf{s}tudent modeling with \textbf{a}uxiliary \textbf{i}nteraction-level \textbf{c}ontrastive \textbf{l}earning. In detail, SAICL can utilize both proposed self-supervised/supervised interaction-level contrastive objectives: MilCPC (\textbf{M}ulti-\textbf{I}nteraction-\textbf{L}evel \textbf{C}ontrastive \textbf{P}redictive \textbf{C}oding) and SupCPC (\textbf{Sup}ervised \textbf{C}ontrastive \textbf{P}redictive \textbf{C}oding). While previous sample-level contrastive methods for student modeling are highly dependent on data augmentation methods, the SAICL is free of data augmentation while showing better performance in both self-supervised and supervised settings. By combining cross-entropy with contrastive objectives, the proposed SAICL achieved comparable knowledge tracing and dropout prediction performance with other state-of-art models without compromising inference costs.

The state space in Multiagent Reinforcement Learning (MARL) grows exponentially with the agent number. Such a curse of dimensionality results in poor scalability and low sample efficiency, inhibiting MARL for decades. To break this curse, we propose a unified agent permutation framework that exploits the permutation invariance (PI) and permutation equivariance (PE) inductive biases to reduce the multiagent state space. Our insight is that permuting the order of entities in the factored multiagent state space does not change the information. Specifically, we propose two novel implementations: a Dynamic Permutation Network (DPN) and a Hyper Policy Network (HPN). The core idea is to build separate entity-wise PI input and PE output network modules to connect the entity-factored state space and action space in an end-to-end way. DPN achieves such connections by two separate module selection networks, which consistently assign the same input module to the same input entity (guarantee PI) and assign the same output module to the same entity-related output (guarantee PE). To enhance the representation capability, HPN replaces the module selection networks of DPN with hypernetworks to directly generate the corresponding module weights. Extensive experiments in SMAC, Google Research Football and MPE validate that the proposed methods significantly boost the performance and the learning efficiency of existing MARL algorithms. Remarkably, in SMAC, we achieve 100% win rates in almost all hard and super-hard scenarios (never achieved before).

Physical law learning is the ambiguous attempt at automating the derivation of governing equations with the use of machine learning techniques. The current literature focuses however solely on the development of methods to achieve this goal, and a theoretical foundation is at present missing. This paper shall thus serve as a first step to build a comprehensive theoretical framework for learning physical laws, aiming to provide reliability to according algorithms. One key problem consists in the fact that the governing equations might not be uniquely determined by the given data. We will study this problem in the common situation of having a physical law be described by an ordinary or partial differential equation. For various different classes of differential equations, we provide both necessary and sufficient conditions for a function from a given function class to uniquely determine the differential equation which is governing the phenomenon. We then use our results to devise numerical algorithms to determine whether a function solves a differential equation uniquely. Finally, we provide extensive numerical experiments showing that our algorithms in combination with common approaches for learning physical laws indeed allow to guarantee that a unique governing differential equation is learnt, without assuming any knowledge about the function, thereby ensuring reliability.

Reconstruction of field quantities from sparse measurements is a problem arising in a broad spectrum of applications. This task is particularly challenging when the mapping between sparse measurements and field quantities is performed in an unsupervised manner. Further complexity is added for moving sensors and/or random on-off status. Under such conditions, the most straightforward solution is to interpolate the scattered data onto a regular grid. However, the spatial resolution achieved with this approach is ultimately limited by the mean spacing between the sparse measurements. In this work, we propose a super-resolution generative adversarial network (GAN) framework to estimate field quantities from random sparse sensors without needing any full-field high-resolution training. The algorithm exploits random sampling to provide incomplete views of the {high-resolution} underlying distributions. It is hereby referred to as RAndomly-SEEDed super-resolution GAN (RaSeedGAN). The proposed technique is tested on synthetic databases of fluid flow simulations, ocean surface temperature distributions measurements, and particle image velocimetry data of a zero-pressure-gradient turbulent boundary layer. The results show excellent performance even in cases with high sparsity or with levels of noise. To our knowledge, this is the first GAN algorithm for full-field high-resolution estimation from randomly-seeded fields with no need of full-field high-resolution representations.

We prove identifiability of a broad class of deep latent variable models that (a) have universal approximation capabilities and (b) are the decoders of variational autoencoders that are commonly used in practice. Unlike existing work, our analysis does not require weak supervision, auxiliary information, or conditioning in the latent space. Specifically, we show that for a broad class of generative (i.e. unsupervised) models with universal approximation capabilities, the side information $u$ is not necessary: We prove identifiability of the entire generative model where we do not observe $u$ and only observe the data $x$. The models we consider match autoencoder architectures used in practice that leverage mixture priors in the latent space and ReLU/leaky-ReLU activations in the encoder, such as VaDE and MFC-VAE. Our main result is an identifiability hierarchy that significantly generalizes previous work and exposes how different assumptions lead to different "strengths" of identifiability, and includes certain "vanilla" VAEs with isotropic Gaussian priors as a special case. For example, our weakest result establishes (unsupervised) identifiability up to an affine transformation, and thus partially resolves an open problem regarding model identifiability raised in prior work. These theoretical results are augmented with experiments on both simulated and real data.

Data poisoning considers an adversary that distorts the training set of machine learning algorithms for malicious purposes. In this work, we bring to light one conjecture regarding the fundamentals of data poisoning, which we call the Lethal Dose Conjecture. The conjecture states: If $n$ clean training samples are needed for accurate predictions, then in a size-$N$ training set, only $\Theta(N/n)$ poisoned samples can be tolerated while ensuring accuracy. Theoretically, we verify this conjecture in multiple cases. We also offer a more general perspective of this conjecture through distribution discrimination. Deep Partition Aggregation (DPA) and its extension, Finite Aggregation (FA) are recent approaches for provable defenses against data poisoning, where they predict through the majority vote of many base models trained from different subsets of training set using a given learner. The conjecture implies that both DPA and FA are (asymptotically) optimal -- if we have the most data-efficient learner, they can turn it into one of the most robust defenses against data poisoning. This outlines a practical approach to developing stronger defenses against poisoning via finding data-efficient learners. Empirically, as a proof of concept, we show that by simply using different data augmentations for base learners, we can respectively double and triple the certified robustness of DPA on CIFAR-10 and GTSRB without sacrificing accuracy.

Generalizing machine learning (ML) models for network traffic dynamics tends to be considered a lost cause. Hence for every new task, we design new models and train them on model-specific datasets closely mimicking the deployment environments. Yet, an ML architecture called_Transformer_ has enabled previously unimaginable generalization in other domains. Nowadays, one can download a model pre-trained on massive datasets and only fine-tune it for a specific task and context with comparatively little time and data. These fine-tuned models are now state-of-the-art for many benchmarks. We believe this progress could translate to networking and propose a Network Traffic Transformer (NTT), a transformer adapted to learn network dynamics from packet traces. Our initial results are promising: NTT seems able to generalize to new prediction tasks and environments. This study suggests there is still hope for generalization, though it calls for a lot of future research.

We study a sequential decision problem where the learner faces a sequence of $K$-armed bandit tasks. The task boundaries might be known (the bandit meta-learning setting), or unknown (the non-stationary bandit setting). For a given integer $M\le K$, the learner aims to compete with the best subset of arms of size $M$. We design an algorithm based on a reduction to bandit submodular maximization, and show that, for $T$ rounds comprised of $N$ tasks, in the regime of large number of tasks and small number of optimal arms $M$, its regret in both settings is smaller than the simple baseline of $\tilde{O}(\sqrt{KNT})$ that can be obtained by using standard algorithms designed for non-stationary bandit problems. For the bandit meta-learning problem with fixed task length $\tau$, we show that the regret of the algorithm is bounded as $\tilde{O}(NM\sqrt{M \tau}+N^{2/3}M\tau)$. Under additional assumptions on the identifiability of the optimal arms in each task, we show a bandit meta-learning algorithm with an improved $\tilde{O}(N\sqrt{M \tau}+N^{1/2}\sqrt{M K \tau})$ regret.

Equity is widely held to be fundamental to the ethics of healthcare. In the context of clinical decision-making, it rests on the comparative fidelity of the intelligence -- evidence-based or intuitive -- guiding the management of each individual patient. Though brought to recent attention by the individuating power of contemporary machine learning, such epistemic equity arises in the context of any decision guidance, whether traditional or innovative. Yet no general framework for its quantification, let alone assurance, currently exists. Here we formulate epistemic equity in terms of model fidelity evaluated over learnt multi-dimensional representations of identity crafted to maximise the captured diversity of the population, introducing a comprehensive framework for Representational Ethical Model Calibration. We demonstrate use of the framework on large-scale multimodal data from UK Biobank to derive diverse representations of the population, quantify model performance, and institute responsive remediation. We offer our approach as a principled solution to quantifying and assuring epistemic equity in healthcare, with applications across the research, clinical, and regulatory domains.

Pre-trained large-scale models provide a transferable embedding, and they show promising performance on diverse downstream tasks. However, the analysis of learned embedding has not been explored well, and the transferability for cross-modal tasks can be improved. This paper provides a perspective to understand multi-modal embedding in terms of uniformity and alignment. We newly find that the representation learned by multi-modal learning models such as CLIP has two separated embedding spaces for each heterogeneous dataset with less alignment. Besides, there are unexplored large intermediate areas between the two modalities with less uniformity. As a result, lack of alignment and uniformity might restrict the robustness and transferability of the representation for the downstream task. To this end, we provide a new end-to-end fine-tuning method for robust representation that encourages better uniformity and alignment score. First, we propose a \textit{Geodesic Multi-Modal Mixup} that mixes the representation of image and text to generate the hard negative samples on the hyperspherical embedding space. Second, we fine-tune the multi-modal model on hard negative samples as well as normal negatives and positive samples with contrastive loss. Through extensive experiments on retrieval, classification, and structure-awareness task, we demonstrate that our geodesic multi-modal Mixup learns a robust representation and provides improved performance on various downstream tasks.

In education applications, knowledge tracing refers to the problem of estimating students' time-varying concept/skill mastery level from their past responses to questions and predicting their future performance. One key limitation of most existing knowledge tracing methods is that they treat student responses to questions as binary-valued, i.e., whether they are correct or incorrect. Response correctness analysis/prediction ignores important information on student knowledge contained in the exact content of the responses, especially for open-ended questions. In this paper, we conduct the first exploration into open-ended knowledge tracing (OKT) by studying the new task of predicting students' exact open-ended responses to questions. Our work is grounded in the domain of computer science education with programming questions. We develop an initial solution to the OKT problem, a student knowledge-guided code generation approach, that combines program synthesis methods using language models with student knowledge tracing methods. We also conduct a series of quantitative and qualitative experiments on a real-world student code dataset to validate OKT and demonstrate its promise in educational applications.

Multi-view subspace clustering aims to discover the hidden subspace structures from multiple views for robust clustering, and has been attracting considerable attention in recent years. Despite significant progress, most of the previous multi-view subspace clustering algorithms are still faced with two limitations. First, they usually focus on the consistency (or commonness) of multiple views, yet often lack the ability to capture the cross-view inconsistencies in subspace representations. Second, many of them overlook the local structures of multiple views and cannot jointly leverage multiple local structures to enhance the subspace representation learning. To address these two limitations, in this paper, we propose a jointly smoothed multi-view subspace clustering (JSMC) approach. Specifically, we simultaneously incorporate the cross-view commonness and inconsistencies into the subspace representation learning. The view-consensus grouping effect is presented to jointly exploit the local structures of multiple views to regularize the view-commonness representation, which is further associated with the low-rank constraint via the nuclear norm to strengthen its cluster structure. Thus the cross-view commonness and inconsistencies, the view-consensus grouping effect, and the low-rank representation are seamlessly incorporated into a unified objective function, upon which an alternating optimization algorithm is performed to achieve a robust subspace representation for clustering. Experimental results on a variety of real-world multi-view datasets confirm the superiority of our approach.

The last decade has witnessed a prosperous development of computational methods and dataset curation for AI-aided drug discovery (AIDD). However, real-world pharmaceutical datasets often exhibit highly imbalanced distribution, which is overlooked by the current literature but may severely compromise the fairness and generalization of machine learning applications. Motivated by this observation, we introduce ImDrug, a comprehensive benchmark with an open-source Python library which consists of 4 imbalance settings, 11 AI-ready datasets, 54 learning tasks and 16 baseline algorithms tailored for imbalanced learning. It provides an accessible and customizable testbed for problems and solutions spanning a broad spectrum of the drug discovery pipeline such as molecular modeling, drug-target interaction and retrosynthesis. We conduct extensive empirical studies with novel evaluation metrics, to demonstrate that the existing algorithms fall short of solving medicinal and pharmaceutical challenges in the data imbalance scenario. We believe that ImDrug opens up avenues for future research and development, on real-world challenges at the intersection of AIDD and deep imbalanced learning.

The symbolic AI community is increasingly trying to embrace machine learning in neuro-symbolic architectures, yet is still struggling due to cultural barriers. To break the barrier, this rather opinionated personal memo attempts to explain and rectify the conventions in Statistics, Machine Learning, and Deep Learning from the viewpoint of outsiders. It provides a step-by-step protocol for designing a machine learning system that satisfies a minimum theoretical guarantee necessary for being taken seriously by the symbolic AI community, i.e., it discusses "in what condition we can stop worrying and accept statistical machine learning." Some highlights: Most textbooks are written for those who plan to specialize in Stat/ML/DL and are supposed to accept jargons. This memo is for experienced symbolic researchers that hear a lot of buzz but are still uncertain and skeptical. Information on Stat/ML/DL is currently too scattered or too noisy to invest in. This memo prioritizes compactness and pays special attention to concepts that resonate well with symbolic paradigms. I hope this memo offers time savings. It prioritizes general mathematical modeling and does not discuss any specific function approximator, such as neural networks (NNs), SVMs, decision trees, etc. It is open to corrections. Consider this memo as something similar to a blog post taking the form of a paper on Arxiv.

Identifying harmful instances, whose absence in a training dataset improves model performance, is important for building better machine learning models. Although previous studies have succeeded in estimating harmful instances under supervised settings, they cannot be trivially extended to generative adversarial networks (GANs). This is because previous approaches require that (1) the absence of a training instance directly affects the loss value and that (2) the change in the loss directly measures the harmfulness of the instance for the performance of a model. In GAN training, however, neither of the requirements is satisfied. This is because, (1) the generator's loss is not directly affected by the training instances as they are not part of the generator's training steps, and (2) the values of GAN's losses normally do not capture the generative performance of a model. To this end, (1) we propose an influence estimation method that uses the Jacobian of the gradient of the generator's loss with respect to the discriminator's parameters (and vice versa) to trace how the absence of an instance in the discriminator's training affects the generator's parameters, and (2) we propose a novel evaluation scheme, in which we assess harmfulness of each training instance on the basis of how GAN evaluation metric (e.g., inception score) is expect to change due to the removal of the instance. We experimentally verified that our influence estimation method correctly inferred the changes in GAN evaluation metrics. Further, we demonstrated that the removal of the identified harmful instances effectively improved the model's generative performance with respect to various GAN evaluation metrics.

This paper generalizes regularized regression problems in a hyper-reproducing kernel Hilbert space (hyper-RKHS), illustrates its utility for kernel learning and out-of-sample extensions, and proves asymptotic convergence results for the introduced regression models in an approximation theory view. Algorithmically, we consider two regularized regression models with bivariate forms in this space, including kernel ridge regression (KRR) and support vector regression (SVR) endowed with hyper-RKHS, and further combine divide-and-conquer with Nystr\"{o}m approximation for scalability in large sample cases. This framework is general: the underlying kernel is learned from a broad class, and can be positive definite or not, which adapts to various requirements in kernel learning. Theoretically, we study the convergence behavior of regularized regression algorithms in hyper-RKHS and derive the learning rates, which goes beyond the classical analysis on RKHS due to the non-trivial independence of pairwise samples and the characterisation of hyper-RKHS. Experimentally, results on several benchmarks suggest that the employed framework is able to learn a general kernel function form an arbitrary similarity matrix, and thus achieves a satisfactory performance on classification tasks.

Differentiable ARchiTecture Search (DARTS) is one of the most trending Neural Architecture Search (NAS) methods. It drastically reduces search cost by resorting to weight-sharing. However, it also dramatically reduces the search space, thus excluding potential promising architectures. In this article, we propose D-DARTS, a solution that addresses this problem by nesting neural networks at the cell level instead of using weight-sharing to produce more diversified and specialized architectures. Moreover, we introduce a novel algorithm that can derive deeper architectures from a few trained cells, increasing performance and saving computation time. In addition, we also present an alternative search space (DARTOpti) in which we optimize existing handcrafted architectures (e.g., ResNet) rather than starting from scratch. This approach is accompanied by a novel metric that measures the distance between architectures inside our custom search space. Our solution reaches competitive performance on multiple computer vision tasks.

In this paper we propose an unsupervised feature extraction method to capture temporal information on monocular videos, where we detect and encode subject of interest in each frame and leverage contrastive self-supervised (CSS) learning to extract rich latent vectors. Instead of simply treating the latent features of nearby frames as positive pairs and those of temporally-distant ones as negative pairs as in other CSS approaches, we explicitly disentangle each latent vector into a time-variant component and a time-invariant one. We then show that applying contrastive loss only to the time-variant features and encouraging a gradual transition on them between nearby and away frames while also reconstructing the input, extract rich temporal features, well-suited for human pose estimation. Our approach reduces error by about 50% compared to the standard CSS strategies, outperforms other unsupervised single-view methods and matches the performance of multi-view techniques. When 2D pose is available, our approach can extract even richer latent features and improve the 3D pose estimation accuracy, outperforming other state-of-the-art weakly supervised methods.

We present a two-step hybrid reinforcement learning (RL) policy that is designed to generate interpretable and robust hierarchical policies on the RL problem with graph-based input. Unlike prior deep reinforcement learning policies parameterized by an end-to-end black-box graph neural network, our approach disentangles the decision-making process into two steps. The first step is a simplified classification problem that maps the graph input to an action group where all actions share a similar semantic meaning. The second step implements a sophisticated rule-miner that conducts explicit one-hop reasoning over the graph and identifies decisive edges in the graph input without the necessity of heavy domain knowledge. This two-step hybrid policy presents human-friendly interpretations and achieves better performance in terms of generalization and robustness. Extensive experimental studies on four levels of complex text-based games have demonstrated the superiority of the proposed method compared to the state-of-the-art.

We propose Active Surrogate Estimators (ASEs), a new method for label-efficient model evaluation. Evaluating model performance is a challenging and important problem when labels are expensive. ASEs address this active testing problem using a surrogate-based estimation approach that interpolates the errors of points with unknown labels, rather than forming a Monte Carlo estimator. ASEs actively learn the underlying surrogate, and we propose a novel acquisition strategy, XWED, that tailors this learning to the final estimation task. We find that ASEs offer greater label-efficiency than the current state-of-the-art when applied to challenging model evaluation problems for deep neural networks.

Performance of machine learning models may differ between training and deployment for many reasons. For instance, model performance can change between environments due to changes in data quality, observing a different population than the one in training, or changes in the relationship between labels and features. These manifest as changes to the underlying data generating mechanisms, and thereby result in distribution shifts across environments. Attributing performance changes to specific shifts, such as covariate or concept shifts, is critical for identifying sources of model failures, and for taking mitigating actions that ensure robust models. In this work, we introduce the problem of attributing performance differences between environments to shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game and derive an importance weighting method for computing the value of a coalition (or a set) of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on two synthetic datasets and two real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Adversarial robustness has become a central goal in deep learning, both in the theory and the practice. However, successful methods to improve the adversarial robustness (such as adversarial training) greatly hurt generalization performance on the unperturbed data. This could have a major impact on how the adversarial robustness affects real world systems (i.e. many may opt to forego robustness if it can improve accuracy on the unperturbed data). We propose Interpolated Adversarial Training, which employs recently proposed interpolation based training methods in the framework of adversarial training. On CIFAR-10, adversarial training increases the standard test error (when there is no adversary) from 4.43% to 12.32%, whereas with our Interpolated adversarial training we retain the adversarial robustness while achieving a standard test error of only 6.45%. With our technique, the relative increase in the standard error for the robust model is reduced from 178.1% to just 45.5%. Moreover, we provide mathematical analysis of Interpolated Adversarial Training to confirm its efficiencies and demonstrate its advantages in terms of robustness and generalization.

Biometric data is a rich source of information that can be used to identify individuals and infer private information about them. To mitigate this privacy risk, anonymization techniques employ transformations on clear data to obfuscate sensitive information, all while retaining some utility of the data. Albeit published with impressive claims, they sometimes are not evaluated with convincing methodology. We hence are interested to which extent recently suggested anonymization techniques for obfuscating facial images are effective. More specifically, we test how easily they can be automatically reverted, to estimate the privacy they can provide. Our approach is agnostic to the anonymization technique as we learn a machine learning model on the clear and corresponding anonymized data. We find that 10 out of 14 tested face anonymization techniques are at least partially reversible, and six of them are at least highly reversible.

In this paper, we investigate the problem of stochastic multi-level compositional optimization, where the objective function is a composition of multiple smooth but possibly non-convex functions. Existing methods for solving this problem either suffer from sub-optimal sample complexities or need a huge batch size. To address these limitations, we propose a Stochastic Multi-level Variance Reduction method (SMVR), which achieves the optimal sample complexity of $\mathcal{O}\left(1 / \epsilon^{3}\right)$ to find an $\epsilon$-stationary point for non-convex objectives. Furthermore, when the objective function satisfies the convexity or Polyak-{\L}ojasiewicz (PL) condition, we propose a stage-wise variant of SMVR and improve the sample complexity to $\mathcal{O}\left(1 / \epsilon^{2}\right)$ for convex functions or $\mathcal{O}\left(1 /\left(\mu\epsilon\right)\right)$ for non-convex functions satisfying the $\mu$-PL condition. The latter result implies the same complexity for $\mu$-strongly convex functions. To make use of adaptive learning rates, we also develop Adaptive SMVR, which achieves the same complexities but converges faster in practice. All our complexities match the lower bounds not only in terms of $\epsilon$ but also in terms of $\mu$ (for PL or strongly convex functions), without using a large batch size in each iteration.

Textual adversarial samples play important roles in multiple subfields of NLP research, including security, evaluation, explainability, and data augmentation. However, most work mixes all these roles, obscuring the problem definitions and research goals of the security role that aims to reveal the practical concerns of NLP models. In this paper, we rethink the research paradigm of textual adversarial samples in security scenarios. We discuss the deficiencies in previous work and propose our suggestions that the research on the Security-oriented adversarial NLP (SoadNLP) should: (1) evaluate their methods on security tasks to demonstrate the real-world concerns; (2) consider real-world attackers' goals, instead of developing impractical methods. To this end, we first collect, process, and release a security datasets collection Advbench. Then, we reformalize the task and adjust the emphasis on different goals in SoadNLP. Next, we propose a simple method based on heuristic rules that can easily fulfill the actual adversarial goals to simulate real-world attack methods. We conduct experiments on both the attack and the defense sides on Advbench. Experimental results show that our method has higher practical value, indicating that the research paradigm in SoadNLP may start from our new benchmark. All the code and data of Advbench can be obtained at \url{https://github.com/thunlp/Advbench}.

We investigate training machine learning (ML) models across a set of geo-distributed, resource-constrained clusters of devices through unmanned aerial vehicles (UAV) swarms. The presence of time-varying data heterogeneity and computational resource inadequacy among device clusters motivate four key parts of our methodology: (i) stratified UAV swarms of leader, worker, and coordinator UAVs, (ii) hierarchical nested personalized federated learning (HN-PFL), a distributed ML framework for personalized model training across the worker-leader-core network hierarchy, (iii) cooperative UAV resource pooling to address computational inadequacy of devices by conducting model training among the UAV swarms, and (iv) model/concept drift to model time-varying data distributions. In doing so, we consider both micro (i.e., UAV-level) and macro (i.e., swarm-level) system design. At the micro-level, we propose network-aware HN-PFL, where we distributively orchestrate UAVs inside swarms to optimize energy consumption and ML model performance with performance guarantees. At the macro-level, we focus on swarm trajectory and learning duration design, which we formulate as a sequential decision making problem tackled via deep reinforcement learning. Our simulations demonstrate the improvements achieved by our methodology in terms of ML performance, network resource savings, and swarm trajectory efficiency.

Recent research suggests that predictions made by machine-learning models can amplify biases present in the training data. When a model amplifies bias, it makes certain predictions at a higher rate for some groups than expected based on training-data statistics. Mitigating such bias amplification requires a deep understanding of the mechanics in modern machine learning that give rise to that amplification. We perform the first systematic, controlled study into when and how bias amplification occurs. To enable this study, we design a simple image-classification problem in which we can tightly control (synthetic) biases. Our study of this problem reveals that the strength of bias amplification is correlated to measures such as model accuracy, model capacity, model overconfidence, and amount of training data. We also find that bias amplification can vary greatly during training. Finally, we find that bias amplification may depend on the difficulty of the classification task relative to the difficulty of recognizing group membership: bias amplification appears to occur primarily when it is easier to recognize group membership than class membership. Our results suggest best practices for training machine-learning models that we hope will help pave the way for the development of better mitigation strategies. Code can be found at https://github.com/facebookresearch/cv_bias_amplification.

Anomaly detection seeks to identify unusual phenomena, a central task in science and industry. The task is inherently unsupervised as anomalies are unexpected and unknown during training. Recent advances in self-supervised representation learning have directly driven improvements in anomaly detection. In this position paper, we first explain how self-supervised representations can be easily used to achieve state-of-the-art performance in commonly reported anomaly detection benchmarks. We then argue that tackling the next generation of anomaly detection tasks requires new technical and conceptual improvements in representation learning.

Knowledge distillation (KD) is a general neural network training approach that uses a teacher to guide a student. Existing works mainly study KD from the network output side (e.g., trying to design a better KD loss function), while few have attempted to understand it from the input side. Especially, its interplay with data augmentation (DA) has not been well understood. In this paper, we ask: Why do some DA schemes (e.g., CutMix) inherently perform much better than others in KD? What makes a "good" DA in KD? Our investigation from a statistical perspective suggests that a good DA scheme should reduce the variance of the teacher's mean probability, which will eventually lead to a lower generalization gap for the student. Besides the theoretical understanding, we also introduce a new entropy-based data-mixing DA scheme to enhance CutMix. Extensive empirical studies support our claims and demonstrate how we can harvest considerable performance gains simply by using a better DA scheme in knowledge distillation.

The training of graph neural networks (GNNs) is extremely time consuming because sparse graph-based operations are hard to be accelerated by hardware. Prior art explores trading off the computational precision to reduce the time complexity via sampling-based approximation. Based on the idea, previous works successfully accelerate the dense matrix based operations (e.g., convolution and linear) with negligible accuracy drop. However, unlike dense matrices, sparse matrices are stored in the irregular data format such that each row/column may have different number of non-zero entries. Thus, compared to the dense counterpart, approximating sparse operations has two unique challenges (1) we cannot directly control the efficiency of approximated sparse operation since the computation is only executed on non-zero entries; (2) sub-sampling sparse matrices is much more inefficient due to the irregular data format. To address the issues, our key idea is to control the accuracy-efficiency trade off by optimizing computation resource allocation layer-wisely and epoch-wisely. Specifically, for the first challenge, we customize the computation resource to different sparse operations, while limit the total used resource below a certain budget. For the second challenge, we cache previous sampled sparse matrices to reduce the epoch-wise sampling overhead. Finally, we propose a switching mechanisms to improve the generalization of GNNs trained with approximated operations. To this end, we propose Randomized Sparse Computation, which for the first time demonstrate the potential of training GNNs with approximated operations. In practice, rsc can achieve up to $11.6\times$ speedup for a single sparse operation and a $1.6\times$ end-to-end wall-clock time speedup with negligible accuracy drop.

While reinforcement learning produces very promising results for many applications, its main disadvantage is the lack of safety guarantees, which prevents its use in safety-critical systems. In this work, we address this issue by a safety shield for nonlinear continuous systems that solve reach-avoid tasks. Our safety shield prevents applying potentially unsafe actions from a reinforcement learning agent by projecting the proposed action to the closest safe action. This approach is called action projection and is implemented via mixed-integer optimization. The safety constraints for action projection are obtained by applying parameterized reachability analysis using polynomial zonotopes, which enables to accurately capture the nonlinear effects of the actions on the system. In contrast to other state of the art approaches for action projection, our safety shield can efficiently handle input constraints and dynamic obstacles, eases incorporation of the spatial robot dimensions into the safety constraints, guarantees robust safety despite process noise and measurement errors, and is well suited for high-dimensional systems, as we demonstrate on several challenging benchmark systems.

Understanding which student support strategies mitigate dropout and improve student retention is an important part of modern higher educational research. One of the largest challenges institutions of higher learning currently face is the scalability of student support. Part of this is due to the shortage of staff addressing the needs of students, and the subsequent referral pathways associated to provide timeous student support strategies. This is further complicated by the difficulty of these referrals, especially as students are often faced with a combination of administrative, academic, social, and socio-economic challenges. A possible solution to this problem can be a combination of student outcome predictions and applying algorithmic recommender systems within the context of higher education. While much effort and detail has gone into the expansion of explaining algorithmic decision making in this context, there is still a need to develop data collection strategies Therefore, the purpose of this paper is to outline a data collection framework specific to recommender systems within this context in order to reduce collection biases, understand student characteristics, and find an ideal way to infer optimal influences on the student journey. If confirmation biases, challenges in data sparsity and the type of information to collect from students are not addressed, it will have detrimental effects on attempts to assess and evaluate the effects of these systems within higher education.

Data augmentation has proven its usefulness to improve model generalization and performance. While it is commonly applied in computer vision application when it comes to multi-view systems, it is rarely used. Indeed geometric data augmentation can break the alignment among views. This is problematic since multi-view data tend to be scarce and it is expensive to annotate. In this work we propose to solve this issue by introducing a new multi-view data augmentation pipeline that preserves alignment among views. Additionally to traditional augmentation of the input image we also propose a second level of augmentation applied directly at the scene level. When combined with our simple multi-view detection model, our two-level augmentation pipeline outperforms all existing baselines by a significant margin on the two main multi-view multi-person detection datasets WILDTRACK and MultiviewX.

We introduce a simple modification to the standard maximum likelihood estimation (MLE) framework. Rather than maximizing a single unconditional likelihood of the data under the model, we maximize a family of \textit{noise conditional} likelihoods consisting of the data perturbed by a continuum of noise levels. We find that models trained this way are more robust to noise, obtain higher test likelihoods, and generate higher quality images. They can also be sampled from via a novel score-based sampling scheme which combats the classical \textit{covariate shift} problem that occurs during sample generation in autoregressive models. Applying this augmentation to autoregressive image models, we obtain 3.32 bits per dimension on the ImageNet 64x64 dataset, and substantially improve the quality of generated samples in terms of the Frechet Inception distance (FID) -- from 37.50 to 12.09 on the CIFAR-10 dataset.

There introduce Particle Optimized Gradient Descent (POGD), an algorithm based on the gradient descent but integrates the particle swarm optimization (PSO) principle to achieve the iteration. From the experiments, this algorithm has adaptive learning ability. The experiments in this paper mainly focus on the training speed to reach the target value and the ability to prevent the local minimum. The experiments in this paper are achieved by the convolutional neural network (CNN) image classification on the MNIST and cifar-10 datasets.

Protecting privacy in learning while maintaining the model performance has become increasingly critical in many applications that involve sensitive data. Private Gradient Descent (PGD) is a commonly used private learning framework, which noises gradients based on the Differential Privacy protocol. Recent studies show that \emph{dynamic privacy schedules} of decreasing noise magnitudes can improve loss at the final iteration, and yet theoretical understandings of the effectiveness of such schedules and their connections to optimization algorithms remain limited. In this paper, we provide comprehensive analysis of noise influence in dynamic privacy schedules to answer these critical questions. We first present a dynamic noise schedule minimizing the utility upper bound of PGD, and show how the noise influence from each optimization step collectively impacts utility of the final model. Our study also reveals how impacts from dynamic noise influence change when momentum is used. We empirically show the connection exists for general non-convex losses, and the influence is greatly impacted by the loss curvature.

We propose a method for computing binary orthogonal non-negative matrix factorization (BONMF) for clustering and classification. The method is tested on several representative real-world data sets. The numerical results confirm that the method has improved accuracy compared to the related techniques. The proposed method is fast for training and classification and space efficient.

Though learning has become a core component of modern information processing, there is now ample evidence that it can lead to biased, unsafe, and prejudiced systems. The need to impose requirements on learning is therefore paramount, especially as it reaches critical applications in social, industrial, and medical domains. However, the non-convexity of most modern statistical problems is only exacerbated by the introduction of constraints. Whereas good unconstrained solutions can often be learned using empirical risk minimization, even obtaining a model that satisfies statistical constraints can be challenging. All the more so, a good one. In this paper, we overcome this issue by learning in the empirical dual domain, where constrained statistical learning problems become unconstrained and deterministic. We analyze the generalization properties of this approach by bounding the empirical duality gap -- i.e., the difference between our approximate, tractable solution and the solution of the original (non-convex) statistical problem -- and provide a practical constrained learning algorithm. These results establish a constrained counterpart to classical learning theory, enabling the explicit use of constraints in learning. We illustrate this theory and algorithm in rate-constrained learning applications arising in fairness and adversarial robustness.

Given a user's input text, text-matching recommender systems output relevant items by comparing the input text to available items' description, such as product-to-product recommendation on e-commerce platforms. As users' interests and item inventory are expected to change, it is important for a text-matching system to generalize to data shifts, a task known as out-of-distribution (OOD) generalization. However, we find that the popular approach of fine-tuning a large, base language model on paired item relevance data (e.g., user clicks) can be counter-productive for OOD generalization. For a product recommendation task, fine-tuning obtains worse accuracy than the base model when recommending items in a new category or for a future time period. To explain this generalization failure, we consider an intervention-based importance metric, which shows that a fine-tuned model captures spurious correlations and fails to learn the causal features that determine the relevance between any two text inputs. Moreover, standard methods for causal regularization do not apply in this setting, because unlike in images, there exist no universally spurious features in a text-matching task (the same token may be spurious or causal depending on the text it is being matched to). For OOD generalization on text inputs, therefore, we highlight a different goal: avoiding high importance scores for certain features. We do so using an intervention-based regularizer that constraints the causal effect of any token on the model's relevance score to be similar to the base model. Results on Amazon product and 3 question recommendation datasets show that our proposed regularizer improves generalization for both in-distribution and OOD evaluation, especially in difficult scenarios when the base model is not accurate.

We introduce Interpolation Consistency Training (ICT), a simple and computation efficient algorithm for training Deep Neural Networks in the semi-supervised learning paradigm. ICT encourages the prediction at an interpolation of unlabeled points to be consistent with the interpolation of the predictions at those points. In classification problems, ICT moves the decision boundary to low-density regions of the data distribution. Our experiments show that ICT achieves state-of-the-art performance when applied to standard neural network architectures on the CIFAR-10 and SVHN benchmark datasets. Our theoretical analysis shows that ICT corresponds to a certain type of data-adaptive regularization with unlabeled points which reduces overfitting to labeled points under high confidence values.

Recently, efforts have been made in the community to design new Graph Neural Networks (GNN), as limitations of Message Passing Neural Networks became more apparent. This led to the appearance of Graph Transformers using global graph features such as Laplacian Eigenmaps. In our paper, we introduce a GNN architecture where the aggregation weights are computed using the long-range correlations of a quantum system. These correlations are generated by translating the graph topology into the interactions of a set of qubits in a quantum computer. This work was inspired by the recent development of quantum processing units which enables the computation of a new family of global graph features that would be otherwise out of reach for classical hardware. We give some theoretical insights about the potential benefits of this approach, and benchmark our algorithm on standard datasets. Although not being adapted to all datasets, our model performs similarly to standard GNN architectures, and paves a promising future for quantum enhanced GNNs.

Physics-informed neural networks (PINNs) have been proposed to solve two main classes of problems: data-driven solutions and data-driven discovery of partial differential equations. This task becomes prohibitive when such data is highly corrupted due to the possible sensor mechanism failing. We propose the Least Absolute Deviation based PINN (LAD-PINN) to reconstruct the solution and recover unknown parameters in PDEs - even if spurious data or outliers corrupt a large percentage of the observations. To further improve the accuracy of recovering hidden physics, the two-stage Median Absolute Deviation based PINN (MAD-PINN) is proposed, where LAD-PINN is employed as an outlier detector followed by MAD screening out the highly corrupted data. Then the vanilla PINN or its variants can be subsequently applied to exploit the remaining normal data. Through several examples, including Poisson's equation, wave equation, and steady or unsteady Navier-Stokes equations, we illustrate the generalizability, accuracy and efficiency of the proposed algorithms for recovering governing equations from noisy and highly corrupted measurement data.

We propose a method for generating simulated contextual bandit environments for personalization tasks from recommendation datasets like MovieLens, Netflix, Last.fm, Million Song, etc. This allows for personalization environments to be developed based on real-life data to reflect the nuanced nature of real-world user interactions. The obtained environments can be used to develop methods for solving personalization tasks, algorithm benchmarking, model simulation, and more. We demonstrate our approach with numerical examples on MovieLens and IMDb datasets.

Digital human recommendation system has been developed to help customers to find their favorite products and is playing an active role in various recommendation contexts. How to catch and learn the preferences of the customers at the right time and meet the exact requirements of the customer become crucial in the digital human recommendation. We design a novel practical digital human interactive recommendation agent framework based on reinforcement learning to improve the efficiency of interactive recommendation decision-making by leveraging both the digital human features and the superiority of reinforcement learning. The proposed framework learns through immediate interactions among the digital human and customers dynamically through stat-of-art reinforcement learning algorithms and embedding with multimodal and graph embedding to improve the accuracy of the personalization and thus enable the digital human agent to actively catch the attention of a customer timely. Experiments on real business data show that this framework can provide better-personalized customer engagement and better customer experiences etc.

Subgraph similarity search, one of the core problems in graph search, concerns whether a target graph approximately contains a query graph. The problem is recently touched by neural methods. However, current neural methods do not consider pruning the target graph, though pruning is critically important in traditional calculations of subgraph similarities. One obstacle to applying pruning in neural methods is {the discrete property of pruning}. In this work, we convert graph pruning to a problem of node relabeling and then relax it to a differentiable problem. Based on this idea, we further design a novel neural network to approximate a type of subgraph distance: the subgraph edit distance (SED). {In particular, we construct the pruning component using a neural structure, and the entire model can be optimized end-to-end.} In the design of the model, we propose an attention mechanism to leverage the information about the query graph and guide the pruning of the target graph. Moreover, we develop a multi-head pruning strategy such that the model can better explore multiple ways of pruning the target graph. The proposed model establishes new state-of-the-art results across seven benchmark datasets. Extensive analysis of the model indicates that the proposed model can reasonably prune the target graph for SED computation. The implementation of our algorithm is released at our Github repo: https://github.com/tufts-ml/Prune4SED.

This article presents a new design for autonomous artificial intelligence (AI), based on the state-of-the-art algorithms, and describes a new autonomous AI system called AutoAI. The methodology is used to assemble the design founded on self-improved algorithms that use new and emerging sources of data (NEFD). The objective of the article is to conceptualise the design of a novel AutoAI algorithm. The conceptual approach is used to advance into building new and improved algorithms. The article integrates and consolidates the findings from existing literature and advances the AutoAI design into (1) using new and emerging sources of data for teaching and training AI algorithms and (2) enabling AI algorithms to use automated tools for training new and improved algorithms. This approach is going beyond the state-of-the-art in AI algorithms and suggests a design that enables autonomous algorithms to self-optimise and self-adapt, and on a higher level, be capable to self-procreate.

Context-aware recommendation systems improve upon classical recommender systems by including, in the modelling, a user's behaviour. Research into context-aware recommendation systems has previously only considered the sequential ordering of items as contextual information. However, there is a wealth of unexploited additional multi-modal information available in auxiliary knowledge related to items. This study extends the existing research by evaluating a multi-modal recommendation system that exploits the inclusion of comprehensive auxiliary knowledge related to an item. The empirical results explore extracting vector representations (embeddings) from unstructured and structured data using data2vec. The fused embeddings are then used to train several state-of-the-art transformer architectures for sequential user-item representations. The analysis of the experimental results shows a statistically significant improvement in prediction accuracy, which confirms the effectiveness of including auxiliary information in a context-aware recommendation system. We report a 4% and 11% increase in the NDCG score for long and short user sequence datasets, respectively.

Contextual bandits are a modern staple tool for active sequential experimentation in the tech industry. They involve online learning algorithms that adaptively (over time) learn policies to map observed contexts $X_t$ to actions $A_t$ in an attempt to maximize stochastic rewards $R_t$. This adaptivity raises interesting but hard statistical inference questions, especially counterfactual ones: for example, it is often of interest to estimate the properties of a hypothetical policy that is different from the logging policy that was used to collect the data -- a problem known as "off-policy evaluation" (OPE). Using modern martingale techniques, we present a comprehensive framework for OPE inference that relax many unnecessary assumptions made in past work, significantly improving on them theoretically and empirically. Our methods remain valid in very general settings, and can be employed while the original experiment is still running (that is, not necessarily post-hoc), when the logging policy may be itself changing (due to learning), and even if the context distributions are drifting over time. More concretely, we derive confidence sequences for various functionals of interest in OPE. These include doubly robust ones for time-varying off-policy mean reward values, but also confidence bands for the entire CDF of the off-policy reward distribution. All of our methods (a) are valid at arbitrary stopping times (b) only make nonparametric assumptions, and (c) do not require known bounds on the maximal importance weights, and (d) adapt to the empirical variance of the reward and weight distributions. In summary, our methods enable anytime-valid off-policy inference using adaptively collected contextual bandit data.

The classic studies of causal emergence have revealed that in some Markovian dynamical systems, far stronger causal connections can be found on the higher-level descriptions than the lower-level of the same systems if we coarse-grain the system states in an appropriate way. However, identifying this emergent causality from the data is still a hard problem that has not been solved because the correct coarse-graining strategy can not be found easily. This paper proposes a general machine learning framework called Neural Information Squeezer to automatically extract the effective coarse-graining strategy and the macro-state dynamics, as well as identify causal emergence directly from the time series data. By decomposing a coarse-graining operation into two processes: information conversion and information dropping out, we can not only exactly control the width of the information channel, but also can derive some important properties analytically including the exact expression of the effective information of a macro-dynamics. We also show how our framework can extract the dynamics on different levels and identify causal emergence from the data on several exampled systems.

Spectral Barron spaces have received considerable interest recently as it is the natural function space for approximation theory of two-layer neural networks with a dimension-free convergence rate. In this paper we study the regularity of solutions to the whole-space static Schr\"odinger equation in spectral Barron spaces. We prove that if the source of the equation lies in the spectral Barron space $\mathcal{B}^s(\mathbb{R}^d)$ and the potential function admitting a non-negative lower bound decomposes as a positive constant plus a function in $\mathcal{B}^s(\mathbb{R}^d)$, then the solution lies in the spectral Barron space $\mathcal{B}^{s+2}(\mathbb{R}^d)$.

A fundamental challenge for machine learning models is generalizing to out-of-distribution (OOD) data, in part due to spurious correlations. To tackle this challenge, we first formalize the OOD generalization problem as constrained optimization, called Disentanglement-constrained Domain Generalization (DDG). We relax this non-trivial constrained optimization problem to a tractable form with finite-dimensional parameterization and empirical approximation. Then a theoretical analysis of the extent to which the above transformations deviates from the original problem is provided. Based on the transformation, we propose a primal-dual algorithm for joint representation disentanglement and domain generalization. In contrast to traditional approaches based on domain adversarial training and domain labels, DDG jointly learns semantic and variation encoders for disentanglement, enabling flexible manipulation and augmentation on training data. DDG aims to learn intrinsic representations of semantic concepts that are invariant to nuisance factors and generalizable across domains. Comprehensive experiments on popular benchmarks show that DDG can achieve competitive OOD performance and uncover interpretable salient structures within data.

Traffic forecasting models rely on data that needs to be sensed, processed, and stored. This requires the deployment and maintenance of traffic sensing infrastructure, often leading to unaffordable monetary costs. The lack of sensed locations can be complemented with synthetic data simulations that further lower the economical investment needed for traffic monitoring. One of the most common data generative approaches consists of producing real-like traffic patterns, according to data distributions from analogous roads. The process of detecting roads with similar traffic is the key point of these systems. However, without collecting data at the target location no flow metrics can be employed for this similarity-based search. We present a method to discover locations among those with available traffic data by inspecting topological features. These features are extracted from domain-specific knowledge as numerical representations (embeddings) to compare different locations and eventually find roads with analogous daily traffic profiles based on the similarity between embeddings. The performance of this novel selection system is examined and compared to simpler traffic estimation approaches. After finding a similar source of data, a generative method is used to synthesize traffic profiles. Depending on the resemblance of the traffic behavior at the sensed road, the generation method can be fed with data from one road only. Several generation approaches are analyzed in terms of the precision of the synthesized samples. Above all, this work intends to stimulate further research efforts towards enhancing the quality of synthetic traffic samples and thereby, reducing the need for sensing infrastructure.

Algorithmic reasoning requires capabilities which are most naturally understood through recurrent models of computation, like the Turing machine. However, Transformer models, while lacking recurrence, are able to perform such reasoning using far fewer layers than the number of reasoning steps. This raises the question: what solutions are these shallow and non-recurrent models finding? We investigate this question in the setting of learning automata, discrete dynamical systems naturally suited to recurrent modeling and expressing algorithmic tasks. Our theoretical results completely characterize shortcut solutions, whereby a shallow Transformer with only $o(T)$ layers can exactly replicate the computation of an automaton on an input sequence of length $T$. By representing automata using the algebraic structure of their underlying transformation semigroups, we obtain $O(\log T)$-depth simulators for all automata and $O(1)$-depth simulators for all automata whose associated groups are solvable. Empirically, we perform synthetic experiments by training Transformers to simulate a wide variety of automata, and show that shortcut solutions can be learned via standard training. We further investigate the brittleness of these solutions and propose potential mitigations.

Computing the matrix square root and its inverse in a differentiable manner is important in a variety of computer vision tasks. Previous methods either adopt the Singular Value Decomposition (SVD) to explicitly factorize the matrix or use the Newton-Schulz iteration (NS iteration) to derive the approximate solution. However, both methods are not computationally efficient enough in either the forward pass or the backward pass. In this paper, we propose two more efficient variants to compute the differentiable matrix square root and the inverse square root. For the forward propagation, one method is to use Matrix Taylor Polynomial (MTP), and the other method is to use Matrix Pad\'e Approximants (MPA). The backward gradient is computed by iteratively solving the continuous-time Lyapunov equation using the matrix sign function. A series of numerical tests show that both methods yield considerable speed-up compared with the SVD or the NS iteration. Moreover, we validate the effectiveness of our methods in several real-world applications, including de-correlated batch normalization, second-order vision transformer, global covariance pooling for large-scale and fine-grained recognition, attentive covariance pooling for video recognition, and neural style transfer. The experimental results demonstrate that our methods can also achieve competitive and even slightly better performances. The Pytorch implementation is available at https://github.com/KingJamesSong/FastDifferentiableMatSqrt

We consider stochastic optimization problems where data is drawn from a Markov chain. Existing methods for this setting crucially rely on knowing the mixing time of the chain, which in real-world applications is usually unknown. We propose the first optimization method that does not require the knowledge of the mixing time, yet obtains the optimal asymptotic convergence rate when applied to convex problems. We further show that our approach can be extended to: (i) finding stationary points in non-convex optimization with Markovian data, and (ii) obtaining better dependence on the mixing time in temporal difference (TD) learning; in both cases, our method is completely oblivious to the mixing time. Our method relies on a novel combination of multi-level Monte Carlo (MLMC) gradient estimation together with an adaptive learning method.

We propose to extend the concept of private information retrieval by allowing for distortion in the retrieval process and relaxing the perfect privacy requirement at the same time. In particular, we study the trade-off between download rate, distortion, and user privacy leakage, and show that in the limit of large file sizes this trade-off can be captured via a novel information-theoretical formulation for datasets with a known distribution. Moreover, for scenarios where the statistics of the dataset is unknown, we propose a new deep learning framework by leveraging a generative adversarial network approach, which allows the user to learn efficient schemes from the data itself. We evaluate the performance of the scheme on a synthetic Gaussian dataset as well as on the MNIST, CIFAR-10, and LSUN datasets. For the MNIST, CIFAR-10, and LSUN datasets, the data-driven approach significantly outperforms a nonlearning-based scheme which combines source coding with the download of multiple files.

Empirical works show that for ReLU neural networks (NNs) with small initialization, input weights of hidden neurons (the input weight of a hidden neuron consists of the weight from its input layer to the hidden neuron and its bias term) condense on isolated orientations. The condensation dynamics implies that the training implicitly regularizes a NN towards one with a much smaller effective size. In this work, we illustrate the formation of the condensation in multi-layer fully connected NNs and show that the maximal number of condensed orientations in the initial training stage is twice the multiplicity of the activation function, where "multiplicity" indicates the multiple roots of activation function at origin. Our theoretical analysis confirms experiments for two cases, one is for the activation function of multiplicity one with arbitrary dimension input, which contains many common activation functions, and the other is for the layer with one-dimensional input and arbitrary multiplicity. This work makes a step towards understanding how small initialization leads NNs to condensation at the initial training stage.

Reinforcement Learning (RL) algorithms can solve challenging control problems directly from image observations, but they often require millions of environment interactions to do so. Recently, model-based RL algorithms have greatly improved sample-efficiency by concurrently learning an internal model of the world, and supplementing real environment interactions with imagined rollouts for policy improvement. However, learning an effective model of the world from scratch is challenging, and in stark contrast to humans that rely heavily on world understanding and visual cues for learning new skills. In this work, we investigate whether internal models learned by modern model-based RL algorithms can be leveraged to solve new, distinctly different tasks faster. We propose Model-Based Cross-Task Transfer (XTRA), a framework for sample-efficient online RL with scalable pretraining and finetuning of learned world models. By offline multi-task pretraining and online cross-task finetuning, we achieve substantial improvements on the Atari100k benchmark over a baseline trained from scratch; we improve mean performance of model-based algorithm EfficientZero by 23%, and by as much as 71% in some instances. Project page: https://nicklashansen.github.io/xtra.

We propose a computational approach for recipe ideation, a downstream task that helps users select and gather ingredients for creating dishes. To perform this task, we developed RecipeMind, a food affinity score prediction model that quantifies the suitability of adding an ingredient to set of other ingredients. We constructed a large-scale dataset containing ingredient co-occurrence based scores to train and evaluate RecipeMind on food affinity score prediction. Deployed in recipe ideation, RecipeMind helps the user expand an initial set of ingredients by suggesting additional ingredients. Experiments and qualitative analysis show RecipeMind's potential in fulfilling its assistive role in cuisine domain.

In light of the smoothness property brought by skip connections in ResNet, this paper proposed the Skip Logit to introduce the skip connection mechanism that fits arbitrary DNN dimensions and embraces similar properties to ResNet. Meta Tanh Normalization (MTN) is designed to learn variance information and stabilize the training process. With these delicate designs, our Skip Meta Logit (SML) brought incremental boosts to the performance of extensive SOTA ctr prediction models on two real-world datasets. In the meantime, we prove that the optimization landscape of arbitrarily deep skip logit networks has no spurious local optima. Finally, SML can be easily added to building blocks and has delivered offline accuracy and online business metrics gains on app ads learning to rank systems at TikTok.

The assessment of left atrial appendage (LAA) thrombogenesis has experienced major advances with the adoption of patient-specific computational fluid dynamics (CFD) simulations. Nonetheless, due to the vast computational resources and long execution times required by fluid dynamics solvers, there is an ever-growing body of work aiming to develop surrogate models of fluid flow simulations based on neural networks. The present study builds on this foundation by developing a deep learning (DL) framework capable of predicting the endothelial cell activation potential (ECAP), linked to the risk of thrombosis, solely from the patient-specific LAA geometry. To this end, we leveraged recent advancements in Geometric DL, which seamlessly extend the unparalleled potential of convolutional neural networks (CNN), to non-Euclidean data such as meshes. The model was trained with a dataset combining 202 synthetic and 54 real LAA, predicting the ECAP distributions instantaneously, with an average mean absolute error of 0.563. Moreover, the resulting framework manages to predict the anatomical features related to higher ECAP values even when trained exclusively on synthetic cases.

We introduce OpenEarthMap, a benchmark dataset, for global high-resolution land cover mapping. OpenEarthMap consists of 2.2 million segments of 5000 aerial and satellite images covering 97 regions from 44 countries across 6 continents, with manually annotated 8-class land cover labels at a 0.25--0.5m ground sampling distance. Semantic segmentation models trained on the OpenEarthMap generalize worldwide and can be used as off-the-shelf models in a variety of applications. We evaluate the performance of state-of-the-art methods for unsupervised domain adaptation and present challenging problem settings suitable for further technical development. We also investigate lightweight models using automated neural architecture search for limited computational resources and fast mapping. The dataset is available at https://open-earth-map.org.

Embedded topic models are able to learn interpretable topics even with large and heavy-tailed vocabularies. However, they generally hold the Euclidean embedding space assumption, leading to a basic limitation in capturing hierarchical relations. To this end, we present a novel framework that introduces hyperbolic embeddings to represent words and topics. With the tree-likeness property of hyperbolic space, the underlying semantic hierarchy among words and topics can be better exploited to mine more interpretable topics. Furthermore, due to the superiority of hyperbolic geometry in representing hierarchical data, tree-structure knowledge can also be naturally injected to guide the learning of a topic hierarchy. Therefore, we further develop a regularization term based on the idea of contrastive learning to inject prior structural knowledge efficiently. Experiments on both topic taxonomy discovery and document representation demonstrate that the proposed framework achieves improved performance against existing embedded topic models.

Click-Through Rate prediction (CTR) is a crucial task in recommender systems, and it gained considerable attention in the past few years. The primary purpose of recent research emphasizes obtaining meaningful and powerful representations through mining low and high feature interactions using various components such as Deep Neural Networks (DNN), CrossNets, or transformer blocks. In this work, we propose the Deep Multi-Representation model (DeepMR) that jointly trains a mixture of two powerful feature representation learning components, namely DNNs and multi-head self-attentions. Furthermore, DeepMR integrates the novel residual with zero initialization (ReZero) connections to the DNN and the multi-head self-attention components for learning superior input representations. Experiments on three real-world datasets show that the proposed model significantly outperforms all state-of-the-art models in the task of click-through rate prediction.

Observational studies have recently received significant attention from the machine learning community due to the increasingly available non-experimental observational data and the limitations of the experimental studies, such as considerable cost, impracticality, small and less representative sample sizes, etc. In observational studies, de-confounding is a fundamental problem of individualised treatment effects (ITE) estimation. This paper proposes disentangled representations with adversarial training to selectively balance the confounders in the binary treatment setting for the ITE estimation. The adversarial training of treatment policy selectively encourages treatment-agnostic balanced representations for the confounders and helps to estimate the ITE in the observational studies via counterfactual inference. Empirical results on synthetic and real-world datasets, with varying degrees of confounding, prove that our proposed approach improves the state-of-the-art methods in achieving lower error in the ITE estimation.

Aging civil infrastructures are closely monitored by engineers for damage and critical defects. As the manual inspection of such large structures is costly and time-consuming, we are working towards fully automating the visual inspections to support the prioritization of maintenance activities. To that end we combine recent advances in drone technology and deep learning. Unfortunately, annotation costs are incredibly high as our proprietary civil engineering dataset must be annotated by highly trained engineers. Active learning is, therefore, a valuable tool to optimize the trade-off between model performance and annotation costs. Our use-case differs from the classical active learning setting as our dataset suffers from heavy class imbalance and consists of a much larger already labeled data pool than other active learning research. We present a novel method capable of operating in this challenging setting by replacing the traditional active learning acquisition function with an auxiliary binary discriminator. We experimentally show that our novel method outperforms the best-performing traditional active learning method (BALD) by 5% and 38% accuracy on CIFAR-10 and our proprietary dataset respectively.

In reinforcement learning from human feedback, it is common to optimize against a reward model trained to predict human preferences. Because the reward model is an imperfect proxy, optimizing its value too much can hinder ground truth performance, in accordance with Goodhart's law. This effect has been frequently observed, but not carefully measured due to the expense of collecting human preference data. In this work, we use a synthetic setup in which a fixed "gold-standard" reward model plays the role of humans, providing labels used to train a proxy reward model. We study how the gold reward model score changes as we optimize against the proxy reward model using either reinforcement learning or best-of-$n$ sampling. We find that this relationship follows a different functional form depending on the method of optimization, and that in both cases its coefficients scale smoothly with the number of reward model parameters. We also study the effect on this relationship of the size of the reward model dataset, the number of reward model and policy parameters, and the coefficient of the KL penalty added to the reward in the reinforcement learning setup. We explore the implications of these empirical results for theoretical considerations in AI alignment.

We aim for source-free domain adaptation, where the task is to deploy a model pre-trained on source domains to target domains. The challenges stem from the distribution shift from the source to the target domain, coupled with the unavailability of any source data and labeled target data for optimization. Rather than fine-tuning the model by updating the parameters, we propose to perturb the source model to achieve adaptation to target domains. We introduce perturbations into the model parameters by variational Bayesian inference in a probabilistic framework. By doing so, we can effectively adapt the model to the target domain while largely preserving the discriminative ability. Importantly, we demonstrate the theoretical connection to learning Bayesian neural networks, which proves the generalizability of the perturbed model to target domains. To enable more efficient optimization, we further employ a parameter sharing strategy, which substantially reduces the learnable parameters compared to a fully Bayesian neural network. Our model perturbation provides a new probabilistic way for domain adaptation which enables efficient adaptation to target domains while maximally preserving knowledge in source models. Experiments on several source-free benchmarks under three different evaluation settings verify the effectiveness of the proposed variational model perturbation for source-free domain adaptation.

Interferometry can measure the shape or the material density of a system that could not be measured otherwise by recording the difference between the phase change of a signal and a reference phase. This difference is always between $-\pi$ and $\pi$ while it is the absolute phase that is required to get a true measurement. There is a long history of methods designed to recover accurately this phase from the phase "wrapped" inside $]-\pi,\pi]$. However, noise and under-sampling limit the effectiveness of most techniques and require highly sophisticated algorithms that can process imperfect measurements. Ultimately, analysing successfully an interferogram amounts to pattern recognition, a task where radial basis function neural networks truly excel at. The proposed neural network is designed to unwrap the phase from two-dimensional interferograms, where aliasing, stemming from under-resolved regions, and noise levels are significant. The neural network can be trained in parallel and in three stages, using gradient-based supervised learning. Parallelism allows to handle relatively large data sets, but requires a supplemental step to synchronized the fully unwrapped phase across the different networks.

Social media platforms are currently the main channel for political messaging, allowing politicians to target specific demographics and adapt based on their reactions. However, making this communication transparent is challenging, as the messaging is tightly coupled with its intended audience and often echoed by multiple stakeholders interested in advancing specific policies. Our goal in this paper is to take a first step towards understanding these highly decentralized settings. We propose a weakly supervised approach to identify the stance and issue of political ads on Facebook and analyze how political campaigns use some kind of demographic targeting by location, gender, or age. Furthermore, we analyze the temporal dynamics of the political ads on election polls.

In recent years there has been growing attention to interpretable machine learning models which can give explanatory insights on their behavior. Thanks to their interpretability, decision trees have been intensively studied for classification tasks, and due to the remarkable advances in mixed-integer programming (MIP), various approaches have been proposed to formulate the problem of training an Optimal Classification Tree (OCT) as a MIP model. We present a novel mixed-integer quadratic formulation for the OCT problem, which exploits the generalization capabilities of Support Vector Machines for binary classification. Our model, denoted as Margin Optimal Classification Tree (MARGOT), encompasses the use of maximum margin multivariate hyperplanes nested in a binary tree structure. To enhance the interpretability of our approach, we analyse two alternative versions of MARGOT, which include feature selection constraints inducing local sparsity of the hyperplanes. First, MARGOT has been tested on non-linearly separable synthetic datasets in 2-dimensional feature space to provide a graphical representation of the maximum margin approach. Finally, the proposed models have been tested on benchmark datasets from the UCI repository. The MARGOT formulation turns out to be easier to solve than other OCT approaches, and the generated tree better generalizes on new observations. The two interpretable versions are effective in selecting the most relevant features and maintaining good prediction quality.

A long-term goal of reinforcement learning is to design agents that can autonomously interact and learn in the world. A critical challenge to such autonomy is the presence of irreversible states which require external assistance to recover from, such as when a robot arm has pushed an object off of a table. While standard agents require constant monitoring to decide when to intervene, we aim to design proactive agents that can request human intervention only when needed. To this end, we propose an algorithm that efficiently learns to detect and avoid states that are irreversible, and proactively asks for help in case the agent does enter them. On a suite of continuous control environments with unknown irreversible states, we find that our algorithm exhibits better sample- and intervention-efficiency compared to existing methods. Our code is publicly available at https://sites.google.com/view/proactive-interventions

Recently, unsupervised adversarial training (AT) has been extensively studied to attain robustness with the models trained upon unlabeled data. To this end, previous studies have applied existing supervised adversarial training techniques to self-supervised learning (SSL) frameworks. However, all have resorted to untargeted adversarial learning as obtaining targeted adversarial examples is unclear in the SSL setting lacking of label information. In this paper, we propose a novel targeted adversarial training method for the SSL frameworks. Specifically, we propose a target selection algorithm for the adversarial SSL frameworks; it is designed to select the most confusing sample for each given instance based on similarity and entropy, and perturb the given instance toward the selected target sample. Our method significantly enhances the robustness of an SSL model without requiring large batches of images or additional models, unlike existing works aimed at achieving the same goal. Moreover, our method is readily applicable to general SSL frameworks that only uses positive pairs. We validate our method on benchmark datasets, on which it obtains superior robust accuracies, outperforming existing unsupervised adversarial training methods.

Demonstration-based learning has shown great potential in stimulating pretrained language models' ability under limited data scenario. Simply augmenting the input with some demonstrations can significantly improve performance on few-shot NER. However, why such demonstrations are beneficial for the learning process remains unclear since there is no explicit alignment between the demonstrations and the predictions. In this paper, we design pathological demonstrations by gradually removing intuitively useful information from the standard ones to take a deep dive of the robustness of demonstration-based sequence labeling and show that (1) demonstrations composed of random tokens still make the model a better few-shot learner; (2) the length of random demonstrations and the relevance of random tokens are the main factors affecting the performance; (3) demonstrations increase the confidence of model predictions on captured superficial patterns. We have publicly released our code at https://github.com/SALT-NLP/RobustDemo.

The Hessian of a differentiable convex function is positive semidefinite. Therefore, checking the Hessian of a given function is a natural approach to certify convexity. However, implementing this approach is not straightforward since it requires a representation of the Hessian that allows its analysis. Here, we implement this approach for a class of functions that is rich enough to support classical machine learning. For this class of functions, it was recently shown how to compute computational graphs of their Hessians. We show how to check these graphs for positive semidefiniteness. We compare our implementation of the Hessian approach with the well-established disciplined convex programming (DCP) approach and prove that the Hessian approach is at least as powerful as the DCP approach for differentiable functions. Furthermore, we show for a state-of-the-art implementation of the DCP approach that, for differentiable functions, the Hessian approach is actually more powerful. That is, it can certify the convexity of a larger class of differentiable functions.

De-noising plays a crucial role in the post-processing of spectra. Machine learning-based methods show good performance in extracting intrinsic information from noisy data, but often require a high-quality training set that is typically inaccessible in real experimental measurements. Here, using spectra in angle-resolved photoemission spectroscopy (ARPES) as an example, we develop a de-noising method for extracting intrinsic spectral information without the need for a training set. This is possible as our method leverages the self-correlation information of the spectra themselves. It preserves the intrinsic energy band features and thus facilitates further analysis and processing. Moreover, since our method is not limited by specific properties of the training set compared to previous ones, it may well be extended to other fields and application scenarios where obtaining high-quality multidimensional training data is challenging.

This article studies deep neural network expression rates for optimal stopping problems of discrete-time Markov processes on high-dimensional state spaces. A general framework is established in which the value function and continuation value of an optimal stopping problem can be approximated with error at most $\varepsilon$ by a deep ReLU neural network of size at most $\kappa d^{\mathfrak{q}} \varepsilon^{-\mathfrak{r}}$. The constants $\kappa,\mathfrak{q},\mathfrak{r} \geq 0$ do not depend on the dimension $d$ of the state space or the approximation accuracy $\varepsilon$. This proves that deep neural networks do not suffer from the curse of dimensionality when employed to solve optimal stopping problems. The framework covers, for example, exponential L\'evy models, discrete diffusion processes and their running minima and maxima. These results mathematically justify the use of deep neural networks for numerically solving optimal stopping problems and pricing American options in high dimensions.

Because of their abundance of amino acids, polysaccharides, and many other nutrients that benefit human beings, mushrooms are deservedly popular as dietary cuisine both worldwide and in China. However, if people eat poisonous fungi by mistake, they may suffer from nausea, vomiting, mental disorder, acute anemia, or even death. Each year in China, there are around 8000 people became sick, and 70 died as a result of eating toxic mushrooms by mistake. It is counted that there are thousands of kinds of mushrooms among which only around 900 types are edible, thus without specialized knowledge, the probability of eating toxic mushrooms by mistake is very high. Most people deem that the only characteristic of poisonous mushrooms is a bright colour, however, some kinds of them do not correspond to this trait. In order to prevent people from eating these poisonous mushrooms, we propose to use deep learning methods to indicate whether a mushroom is toxic through analyzing hundreds of edible and toxic mushrooms smartphone pictures. We crowdsource a mushroom image dataset that contains 250 images of poisonous mushrooms and 200 images of edible mushrooms. The Convolutional Neural Network (CNN) is a specialized type of artificial neural networks that use a mathematical operation called convolution in place of general matrix multiplication in at least one of their layers, which can generate a relatively precise result by analyzing a huge amount of images, and thus is very suitable for our research. The experimental results demonstrate that the proposed model has high credibility and can provide a decision-making basis for the selection of edible fungi, so as to reduce the morbidity and mortality caused by eating poisonous mushrooms. We also open source our hand collected mushroom image dataset so that peer researchers can also deploy their own model to advance poisonous mushroom identification.

While Mixed-integer linear programming (MILP) is NP-hard in general, practical MILP has received roughly 100--fold speedup in the past twenty years. Still, many classes of MILPs quickly become unsolvable as their sizes increase, motivating researchers to seek new acceleration techniques for MILPs. With deep learning, they have obtained strong empirical results, and many results were obtained by applying graph neural networks (GNNs) to making decisions in various stages of MILP solution processes. This work discovers a fundamental limitation: there exist feasible and infeasible MILPs that all GNNs will, however, treat equally, indicating GNN's lacking power to express general MILPs. Then, we show that, by restricting the MILPs to unfoldable ones or by adding random features, there exist GNNs that can reliably predict MILP feasibility, optimal objective values, and optimal solutions up to prescribed precision. We conducted small-scale numerical experiments to validate our theoretical findings.

Pre-trained language models (LMs), such as BERT (Devlin et al., 2018) and its variants, have led to significant improvements on various NLP tasks in past years. However, a theoretical framework for studying their relationships is still missing. In this paper, we fill this gap by investigating the linear dependency between pre-trained LMs. The linear dependency of LMs is defined analogously to the linear dependency of vectors. We propose Language Model Decomposition (LMD) to represent a LM using a linear combination of other LMs as basis, and derive the closed-form solution. A goodness-of-fit metric for LMD similar to the coefficient of determination is defined and used to measure the linear dependency of a set of LMs. In experiments, we find that BERT and eleven (11) BERT-like LMs are 91% linearly dependent. This observation suggests that current state-of-the-art (SOTA) LMs are highly "correlated". To further advance SOTA we need more diverse and novel LMs that are less dependent on existing LMs.

Symbolic music generation aims to generate music scores automatically. A recent trend is to use Transformer or its variants in music generation, which is, however, suboptimal, because the full attention cannot efficiently model the typically long music sequences (e.g., over 10,000 tokens), and the existing models have shortcomings in generating musical repetition structures. In this paper, we propose Museformer, a Transformer with a novel fine- and coarse-grained attention for music generation. Specifically, with the fine-grained attention, a token of a specific bar directly attends to all the tokens of the bars that are most relevant to music structures (e.g., the previous 1st, 2nd, 4th and 8th bars, selected via similarity statistics); with the coarse-grained attention, a token only attends to the summarization of the other bars rather than each token of them so as to reduce the computational cost. The advantages are two-fold. First, it can capture both music structure-related correlations via the fine-grained attention, and other contextual information via the coarse-grained attention. Second, it is efficient and can model over 3X longer music sequences compared to its full-attention counterpart. Both objective and subjective experimental results demonstrate its ability to generate long music sequences with high quality and better structures.

Node embedding is a central topic in graph representation learning. Computational efficiency and scalability can be challenging to any method that requires full-graph operations. We propose sampling approaches to node embedding, with or without explicit modelling of the feature vector, which aim to extract useful information from both the eigenvectors related to the graph Laplacien and the given values associated with the graph.

In order to address real-world problems, deep learning models are jointly trained on many classes. However, in the future, some classes may become restricted due to privacy/ethical concerns, and the restricted class knowledge has to be removed from the models that have been trained on them. The available data may also be limited due to privacy/ethical concerns, and re-training the model will not be possible. We propose a novel approach to address this problem without affecting the model's prediction power for the remaining classes. Our approach identifies the model parameters that are highly relevant to the restricted classes and removes the knowledge regarding the restricted classes from them using the limited available training data. Our approach is significantly faster and performs similar to the model re-trained on the complete data of the remaining classes.

Deep Learning has proliferated dramatically across consumer devices in less than a decade, but has been largely powered through the hardware acceleration within isolated devices. Nonetheless, clear signals exist that the next decade of consumer intelligence will require levels of resources, a mixing of modalities and a collaboration of devices that will demand a significant pivot beyond hardware alone. To accomplish this, we believe a new Edge-AI paradigm will be necessary for this transition to be possible in a sustainable manner, without trespassing user-privacy or hurting quality of experience.

Observations made in continuous time are often irregular and contain the missing values across different channels. One approach to handle the missing data is imputing it using splines, by fitting the piecewise polynomials to the observed values. We propose using the splines as an input to a neural network, in particular, applying the transformations on the interpolating function directly, instead of sampling the points on a grid. To do that, we design the layers that can operate on splines and which are analogous to their discrete counterparts. This allows us to represent the irregular sequence compactly and use this representation in the downstream tasks such as classification and forecasting. Our model offers competitive performance compared to the existing methods both in terms of the accuracy and computation efficiency.

A backdoor or Trojan attack is an important type of data poisoning attack against deep neural network (DNN) classifiers, wherein the training dataset is poisoned with a small number of samples that each possess the backdoor pattern (usually a pattern that is either imperceptible or innocuous) and which are mislabeled to the attacker's target class. When trained on a backdoor-poisoned dataset, a DNN behaves normally on most benign test samples but makes incorrect predictions to the target class when the test sample has the backdoor pattern incorporated (i.e., contains a backdoor trigger). Here we focus on image classification tasks and show that supervised training may build stronger association between the backdoor pattern and the associated target class than that between normal features and the true class of origin. By contrast, self-supervised representation learning ignores the labels of samples and learns a feature embedding based on images' semantic content. %We thus propose to use unsupervised representation learning to avoid emphasising backdoor-poisoned training samples and learn a similar feature embedding for samples of the same class. Using a feature embedding found by self-supervised representation learning, a data cleansing method, which combines sample filtering and re-labeling, is developed. Experiments on CIFAR-10 benchmark datasets show that our method achieves state-of-the-art performance in mitigating backdoor attacks.

Implicit feedback plays a huge role in recommender systems, but its high noise characteristic seriously reduces its effect. To denoise implicit feedback, some efforts have been devoted to graph data augmentation (GDA) methods. Although the bi-level optimization thought of GDA guarantees better recommendation performance theoretically, it also leads to expensive time costs and severe space explosion problems. Specifically, bi-level optimization involves repeated traversal of all positive and negative instances after each optimization of the recommendation model. In this paper, we propose a new denoising paradigm, i.e., Quick Graph Conversion (QGrace), to effectively transform the original interaction graph into a purified (for positive instances) and densified (for negative instances) interest graph during the recommendation model training process. In QGrace, we leverage the gradient matching scheme based on elaborated generative models to fulfill the conversion and generation of an interest graph, elegantly overcoming the high time and space cost problems. To enable recommendation models to run on interest graphs that lack implicit feedback data, we provide a fine-grained objective function from the perspective of alignment and uniformity. The experimental results on three benchmark datasets demonstrate that the QGrace outperforms the state-of-the-art GDA methods and recommendation models in effectiveness and robustness.

Colonoscopy is the most common procedure for early detection and removal of polyps, a critical component of colorectal cancer prevention. Insufficient visual coverage of the colon surface during the procedure often results in missed polyps. To mitigate this issue, reconstructing the 3D surfaces of the colon in order to visualize the missing regions has been proposed. However, robustly estimating the local and global coverage from such a reconstruction has not been thoroughly investigated until now. In this work, we present a new method to estimate the coverage from a reconstructed colon pointcloud. Our method splits a reconstructed colon into segments and estimates the coverage of each segment by estimating the area of the missing surfaces. We achieve a mean absolute coverage error of 3-6\% on colon segments generated from synthetic colonoscopy data and real colonography CT scans. In addition, we show good qualitative results on colon segments reconstructed from real colonoscopy videos.

Both in terrestrial and extraterrestrial environments, the precise and informative model of the ground and the surface ahead is crucial for navigation and obstacle avoidance. The ground surface is not always flat and it may be sloped, bumpy and rough specially in off-road terrestrial scenes. In bumpy and rough scenes the functional relationship of the surface-related features may vary in different areas of the ground, as the structure of the ground surface may vary suddenly and further the measured point cloud of the ground does not bear smoothness. Thus, the ground-related features must be obtained based on local estimates or even point estimates. To tackle this problem, the segment-wise GP-based ground segmentation method with local smoothness estimation is proposed. This method is an extension to our previous method in which a realistic measurement of the length-scale values were provided for the covariance kernel in each line-segment to give precise estimation of the ground for sloped terrains. In this extension, the value of the length-scale is estimated locally for each data point which makes it much more precise for the rough scenes while being not computationally complex and more robust to under-segmentation, sparsity and under-represent-ability. The segment-wise task is performed to estimate a partial continuous model of the ground for each radial range segment. Simulation results show the effectiveness of the proposed method to give a continuous and precise estimation of the ground surface in rough and bumpy scenes while being fast enough for real-world applications.

We study reserve price optimization in multi-phase second price auctions, where seller's prior actions affect the bidders' later valuations through a Markov Decision Process (MDP). Compared to the bandit setting in existing works, the setting in ours involves three challenges. First, from the seller's perspective, we need to efficiently explore the environment in the presence of potentially nontruthful bidders who aim to manipulates seller's policy. Second, we want to minimize the seller's revenue regret when the market noise distribution is unknown. Third, the seller's per-step revenue is unknown, nonlinear, and cannot even be directly observed from the environment. We propose a mechanism addressing all three challenges. To address the first challenge, we use a combination of a new technique named "buffer periods" and inspirations from Reinforcement Learning (RL) with low switching cost to limit bidders' surplus from untruthful bidding, thereby incentivizing approximately truthful bidding. The second one is tackled by a novel algorithm that removes the need for pure exploration when the market noise distribution is unknown. The third challenge is resolved by an extension of LSVI-UCB, where we use the auction's underlying structure to control the uncertainty of the revenue function. The three techniques culminate in the $\underline{\rm C}$ontextual-$\underline{\rm L}$SVI-$\underline{\rm U}$CB-$\underline{\rm B}$uffer (CLUB) algorithm which achieves $\tilde{ \mathcal{O}}(H^{5/2}\sqrt{K})$ revenue regret when the market noise is known and $\tilde{ \mathcal{O}}(H^{3}\sqrt{K})$ revenue regret when the noise is unknown with no assumptions on bidders' truthfulness.

Sensory neuroprostheses are emerging as a promising technology to restore lost sensory function or augment human capabilities. However, sensations elicited by current devices often appear artificial and distorted. Although current models can predict the neural or perceptual response to an electrical stimulus, an optimal stimulation strategy solves the inverse problem: what is the required stimulus to produce a desired response? Here, we frame this as an end-to-end optimization problem, where a deep neural network stimulus encoder is trained to invert a known and fixed forward model that approximates the underlying biological system. As a proof of concept, we demonstrate the effectiveness of this Hybrid Neural Autoencoder (HNA) in visual neuroprostheses. We find that HNA produces high-fidelity patient-specific stimuli representing handwritten digits and segmented images of everyday objects, and significantly outperforms conventional encoding strategies across all simulated patients. Overall this is an important step towards the long-standing challenge of restoring high-quality vision to people living with incurable blindness and may prove a promising solution for a variety of neuroprosthetic technologies.

As interest in graph data has grown in recent years, the computation of various geometric tools has become essential. In some area such as mesh processing, they often rely on the computation of geodesics and shortest paths in discretized manifolds. A recent example of such a tool is the computation of Wasserstein barycenters (WB), a very general notion of barycenters derived from the theory of Optimal Transport, and their entropic-regularized variant. In this paper, we examine how WBs on discretized meshes relate to the geometry of the underlying manifold. We first provide a generic stability result with respect to the input cost matrices. We then apply this result to random geometric graphs on manifolds, whose shortest paths converge to geodesics, hence proving the consistency of WBs computed on discretized shapes.

Sharpness-aware minimization (SAM) aims to improve the generalisation of gradient-based learning by seeking out flat minima. In this work, we establish connections between SAM and Mean-Field Variational Inference (MFVI) of neural network parameters. We show that both these methods have interpretations as optimizing notions of flatness, and when using the reparametrisation trick, they both boil down to calculating the gradient at a perturbed version of the current mean parameter. This thinking motivates our study of algorithms that combine or interpolate between SAM and MFVI. We evaluate the proposed variational algorithms on several benchmark datasets, and compare their performance to variants of SAM. Taking a broader perspective, our work suggests that SAM-like updates can be used as a drop-in replacement for the reparametrisation trick.

Modern day applications, especially information retrieval webapps that involve "search" as their use cases are gradually moving towards "answering" modules. Conversational chatbots which have been proved to be more engaging to users, use Question Answering as their core. Since, precise answering is computationally expensive, several approaches have been developed to prefetch the most relevant documents/passages from the database that contain the answer. We propose a different approach that retrieves the evidence documents efficiently and accurately, making sure that the relevant document for a given user query is not missed. We do so by assigning each document (or passage in our case), a unique identifier and using them to create dense vectors which can be efficiently indexed. More precisely, we use the identifier to predict randomly sampled context window words of the relevant question corresponding to the passage along with the words of passage itself. This naturally embeds the passage identifier into the vector space in such a way that the embedding is closer to the question without compromising he information content. This approach enables efficient creation of real-time query vectors in ~4 milliseconds.

Speech synthesis for poetry is challenging due to specific intonation patterns inherent to poetic speech. In this work, we propose an approach to synthesise poems with almost human like naturalness in order to enable literary scholars to systematically examine hypotheses on the interplay between text, spoken realisation, and the listener's perception of poems. To meet these special requirements for literary studies, we resynthesise poems by cloning prosodic values from a human reference recitation, and afterwards make use of fine-grained prosody control to manipulate the synthetic speech in a human-in-the-loop setting to alter the recitation w.r.t. specific phenomena. We find that finetuning our TTS model on poetry captures poetic intonation patterns to a large extent which is beneficial for prosody cloning and manipulation and verify the success of our approach both in an objective evaluation as well as in human studies.

Generalized Additive Models (GAMs) have quickly become the leading choice for inherently-interpretable machine learning. However, unlike uninterpretable methods such as DNNs, they lack expressive power and easy scalability, and are hence not a feasible alternative for real-world tasks. We present a new class of GAMs that use tensor rank decompositions of polynomials to learn powerful, {\em inherently-interpretable} models. Our approach, titled Scalable Polynomial Additive Models (SPAM) is effortlessly scalable and models {\em all} higher-order feature interactions without a combinatorial parameter explosion. SPAM outperforms all current interpretable approaches, and matches DNN/XGBoost performance on a series of real-world benchmarks with up to hundreds of thousands of features. We demonstrate by human subject evaluations that SPAMs are demonstrably more interpretable in practice, and are hence an effortless replacement for DNNs for creating interpretable and high-performance systems suitable for large-scale machine learning. Source code is available at https://github.com/facebookresearch/nbm-spam.

Ensuring fairness of prediction-based decision making is based on statistical group fairness criteria. Which one of these criteria is the morally most appropriate one depends on the context, and its choice requires an ethical analysis. In this paper, we present a step-by-step procedure integrating three elements: (a) a framework for the moral assessment of what fairness means in a given context, based on the recently proposed general principle of "Fair equality of chances" (FEC) (b) a mapping of the assessment's results to established statistical group fairness criteria, and (c) a method for integrating the thus-defined fairness into optimal decision making. As a second contribution, we show new applications of the FEC principle and show that, with this extension, the FEC framework covers all types of group fairness criteria: independence, separation, and sufficiency. Third, we introduce an extended version of the FEC principle, which additionally allows accounting for morally irrelevant elements of the fairness assessment and links to well-known relaxations of the fairness criteria. This paper presents a framework to develop fair decision systems in a conceptually sound way, combining the moral and the computational elements of fair prediction-based decision-making in an integrated approach. Data and code to reproduce our results are available at https://github.com/joebaumann/fair-prediction-based-decision-making.

Continual Learning (CL) methods mainly focus on avoiding catastrophic forgetting and learning representations that are transferable to new tasks. Recently, Wortsman et al. (2020) proposed a CL method, SupSup, which uses a randomly initialized, fixed base network (model) and finds a supermask for each new task that selectively keeps or removes each weight to produce a subnetwork. They prevent forgetting as the network weights are not being updated. Although there is no forgetting, the performance of the supermask is sub-optimal because fixed weights restrict its representational power. Furthermore, there is no accumulation or transfer of knowledge inside the model when new tasks are learned. Hence, we propose ExSSNeT (Exclusive Supermask SubNEtwork Training), which performs exclusive and non-overlapping subnetwork weight training. This avoids conflicting updates to the shared weights by subsequent tasks to improve performance while still preventing forgetting. Furthermore, we propose a novel KNN-based Knowledge Transfer (KKT) module that dynamically initializes a new task's mask based on previous tasks for improving knowledge transfer. We demonstrate that ExSSNeT outperforms SupSup and other strong previous methods on both text classification and vision tasks while preventing forgetting. Moreover, ExSSNeT is particularly advantageous for sparse masks that activate 2-10% of the model parameters, resulting in an average improvement of 8.3% over SupSup. Additionally, ExSSNeT scales to a large number of tasks (100), and our KKT module helps to learn new tasks faster while improving overall performance. Our code is available at https://github.com/prateeky2806/exessnet

Two interlocking research questions of growing interest and importance in privacy research are Authorship Attribution (AA) and Authorship Obfuscation (AO). Given an artifact, especially a text t in question, an AA solution aims to accurately attribute t to its true author out of many candidate authors while an AO solution aims to modify t to hide its true authorship. Traditionally, the notion of authorship and its accompanying privacy concern is only toward human authors. However, in recent years, due to the explosive advancements in Neural Text Generation (NTG) techniques in NLP, capable of synthesizing human-quality open-ended texts (so-called "neural texts"), one has to now consider authorships by humans, machines, or their combination. Due to the implications and potential threats of neural texts when used maliciously, it has become critical to understand the limitations of traditional AA/AO solutions and develop novel AA/AO solutions in dealing with neural texts. In this survey, therefore, we make a comprehensive review of recent literature on the attribution and obfuscation of neural text authorship from a Data Mining perspective, and share our view on their limitations and promising research directions.

Predicting the quality of multimedia content is often needed in different fields. In some applications, quality metrics are crucial with a high impact, and can affect decision making such as diagnosis from medical multimedia. In this paper, we focus on such applications by proposing an efficient and shallow model for predicting the quality of medical images without reference from a small amount of annotated data. Our model is based on convolution self-attention that aims to model complex representation from relevant local characteristics of images, which itself slide over the image to interpolate the global quality score. We also apply domain adaptation learning in unsupervised and semi-supervised manner. The proposed model is evaluated through a dataset composed of several images and their corresponding subjective scores. The obtained results showed the efficiency of the proposed method, but also, the relevance of the applying domain adaptation to generalize over different multimedia domains regarding the downstream task of perceptual quality prediction. \footnote{Funded by the TIC-ART project, Regional fund (Region Centre-Val de Loire)}

Image quality is important, and it can affect overall performance in image processing and computer vision as well as for numerous other reasons. Image quality assessment (IQA) is consequently a vital task in different applications from aerial photography interpretation to object detection to medical image analysis. In previous research, the BRISQUE algorithm and the PSNR algorithm were evaluated with high resolution ( 512*384 pixels per image), but relatively small image sets (4,744 images). However, scientists have not evaluated IQA algorithms on low resolution (32*32 pixels per image), multi-perturbation, big image sets (for example, 60,000 different images not counting their perturbations). This study explores these two IQA algorithms through experimental investigation. We first chose two deep learning image sets, CIFAR-10 and MNIST. Then, we added 68 perturbations that add noise to the images in specific sequences and noise intensities. In addition, we tracked the performance outputs of the two IQA algorithms with singly and multiply noised images. After quantitatively analyzing experimental results, we report the limitations of the two IQAs with these noised CIFAR-10 and MNIST image sets. We also explain three potential root causes for performance degradation. These findings point out weaknesses of the two IQA algorithms. The research results provide guidance to scientists and engineers developing accurate, robust IQA algorithms. In addition to supporting future scientific research and industrial projects, all source codes are shared on the website: https://github.com/caperock/imagequality

Generalization in Reinforcement Learning (RL) aims to learn an agent during training that generalizes to the target environment. This paper studies RL generalization from a theoretical aspect: how much can we expect pre-training over training environments to be helpful? When the interaction with the target environment is not allowed, we certify that the best we can obtain is a near-optimal policy in an average sense, and we design an algorithm that achieves this goal. Furthermore, when the agent is allowed to interact with the target environment, we give a surprising result showing that asymptotically, the improvement from pre-training is at most a constant factor. On the other hand, in the non-asymptotic regime, we design an efficient algorithm and prove a distribution-based regret bound in the target environment that is independent of the state-action space.

We focus on using the predictive uncertainty signal calculated by Bayesian neural networks to guide learning in the self-same task the model is being trained on. Not opting for costly Monte Carlo sampling of weights, we propagate the approximate hidden variance in an end-to-end manner, throughout a variational Bayesian adaptation of a ResNet with attention and squeeze-and-excitation blocks, in order to identify data samples that should contribute less into the loss value calculation. We, thus, propose uncertainty-aware, data-specific label smoothing, where the smoothing probability is dependent on this epistemic uncertainty. We show that, through the explicit usage of the epistemic uncertainty in the loss calculation, the variational model is led to improved predictive and calibration performance. This core machine learning methodology is exemplified at wildlife call detection, from audio recordings made via passive acoustic monitoring equipment in the animals' natural habitats, with the future goal of automating large scale annotation in a trustworthy manner.

A fundamental challenge of recommendation systems (RS) is understanding the causal dynamics underlying users' decision making. Most existing literature addresses this problem by using causal structures inferred from domain knowledge. However, there are numerous phenomenons where domain knowledge is insufficient, and the causal mechanisms must be learnt from the feedback data. Discovering the causal mechanism from RS feedback data is both novel and challenging, since RS itself is a source of intervention that can influence both the users' exposure and their willingness to interact. Also for this reason, most existing solutions become inappropriate since they require data collected free from any RS. In this paper, we first formulate the underlying causal mechanism as a causal structural model and describe a general causal structure learning framework grounded in the real-world working mechanism of RS. The essence of our approach is to acknowledge the unknown nature of RS intervention. We then derive the learning objective from our framework and propose an augmented Lagrangian solver for efficient optimization. We conduct both simulation and real-world experiments to demonstrate how our approach compares favorably to existing solutions, together with the empirical analysis from sensitivity and ablation studies.

We present Sequential Neural Variational Inference (SNVI), an approach to perform Bayesian inference in models with intractable likelihoods. SNVI combines likelihood-estimation (or likelihood-ratio-estimation) with variational inference to achieve a scalable simulation-based inference approach. SNVI maintains the flexibility of likelihood(-ratio) estimation to allow arbitrary proposals for simulations, while simultaneously providing a functional estimate of the posterior distribution without requiring MCMC sampling. We present several variants of SNVI and demonstrate that they are substantially more computationally efficient than previous algorithms, without loss of accuracy on benchmark tasks. We apply SNVI to a neuroscience model of the pyloric network in the crab and demonstrate that it can infer the posterior distribution with one order of magnitude fewer simulations than previously reported. SNVI vastly reduces the computational cost of simulation-based inference while maintaining accuracy and flexibility, making it possible to tackle problems that were previously inaccessible.

A promising paradigm for offline reinforcement learning (RL) is to constrain the learned policy to stay close to the dataset behaviors, known as policy constraint offline RL. However, existing works heavily rely on the purity of the data, exhibiting performance degradation or even catastrophic failure when learning from contaminated datasets containing impure trajectories of diverse levels. e.g., expert level, medium level, etc., while offline contaminated data logs exist commonly in the real world. To mitigate this, we first introduce gradient penalty over the learned value function to tackle the exploding Q-functions. We then relax the closeness constraints towards non-optimal actions with critic weighted constraint relaxation. Experimental results show that the proposed techniques effectively tame the non-optimal trajectories for policy constraint offline RL methods, evaluated on a set of contaminated D4RL Mujoco and Adroit datasets.

Recent work shows that sensitive user data can be reconstructed from gradient updates, breaking the key privacy promise of federated learning. While success was demonstrated primarily on image data, these methods do not directly transfer to other domains such as text. In this work, we propose LAMP, a novel attack tailored to textual data, that successfully reconstructs original text from gradients. Our attack is based on two key insights: (i) modeling prior text probability with an auxiliary language model, guiding the search towards more natural text, and (ii) alternating continuous and discrete optimization, which minimizes reconstruction loss on embeddings, while avoiding local minima by applying discrete text transformations. Our experiments demonstrate that LAMP is significantly more effective than prior work: it reconstructs 5x more bigrams and 23% longer subsequences on average. Moreover, we are the first to recover inputs from batch sizes larger than 1 for textual models. These findings indicate that gradient updates of models operating on textual data leak more information than previously thought.

In medical image analysis, the cost of acquiring high-quality data and their annotation by experts is a barrier in many medical applications. Most of the techniques used are based on supervised learning framework and need a large amount of annotated data to achieve satisfactory performance. As an alternative, in this paper, we propose a self-supervised learning (SSL) approach to learn the spatial anatomical representations from the frames of magnetic resonance (MR) video clips for the diagnosis of knee medical conditions. The pretext model learns meaningful spatial context-invariant representations. The downstream task in our paper is a class imbalanced multi-label classification. Different experiments show that the features learnt by the pretext model provide competitive performance in the downstream task. Moreover, the efficiency and reliability of the proposed pretext model in learning representations of minority classes without applying any strategy towards imbalance in the dataset can be seen from the results. To the best of our knowledge, this work is the first work of its kind in showing the effectiveness and reliability of self-supervised learning algorithms in class imbalanced multi-label classification tasks on MR videos. The code for evaluation of the proposed work is available at https://github.com/sadimanna/skid.

Many functions have approximately-known upper and/or lower bounds, potentially aiding the modeling of such functions. In this paper, we introduce Gaussian process models for functions where such bounds are (approximately) known. More specifically, we propose the first use of such bounds to improve Gaussian process (GP) posterior sampling and Bayesian optimization (BO). That is, we transform a GP model satisfying the given bounds, and then sample and weight functions from its posterior. To further exploit these bounds in BO settings, we present bounded entropy search (BES) to select the point gaining the most information about the underlying function, estimated by the GP samples, while satisfying the output constraints. We characterize the sample variance bounds and show that the decision made by BES is explainable. Our proposed approach is conceptually straightforward and can be used as a plug in extension to existing methods for GP posterior sampling and Bayesian optimization.

Reinforcement Learning (RL) algorithms are often known for sample inefficiency and difficult generalization. Recently, Unsupervised Environment Design (UED) emerged as a new paradigm for zero-shot generalization by simultaneously learning a task distribution and agent policies on the sampled tasks. This is a non-stationary process where the task distribution evolves along with agent policies, creating an instability over time. While past works demonstrated the potential of such approaches, sampling effectively from the task space remains an open challenge, bottlenecking these approaches. To this end, we introduce CLUTR: a novel curriculum learning algorithm that decouples task representation and curriculum learning into a two-stage optimization. It first trains a recurrent variational autoencoder on randomly generated tasks to learn a latent task manifold. Next, a teacher agent creates a curriculum by maximizing a minimax REGRET-based objective on a set of latent tasks sampled from this manifold. By keeping the task manifold fixed, we show that CLUTR successfully overcomes the non-stationarity problem and improves stability. Our experimental results show CLUTR outperforms PAIRED, a principled and popular UED method, in terms of generalization and sample efficiency in the challenging CarRacing and navigation environments: showing an 18x improvement on the F1 CarRacing benchmark. CLUTR also performs comparably to the non-UED state-of-the-art for CarRacing, outperforming it in nine of the 20 tracks. CLUTR also achieves a 33% higher solved rate than PAIRED on a set of 18 out-of-distribution navigation tasks.

Optimizing expensive-to-evaluate black-box functions of discrete (and potentially continuous) design parameters is a ubiquitous problem in scientific and engineering applications. Bayesian optimization (BO) is a popular, sample-efficient method that leverages a probabilistic surrogate model and an acquisition function (AF) to select promising designs to evaluate. However, maximizing the AF over mixed or high-cardinality discrete search spaces is challenging standard gradient-based methods cannot be used directly or evaluating the AF at every point in the search space would be computationally prohibitive. To address this issue, we propose using probabilistic reparameterization (PR). Instead of directly optimizing the AF over the search space containing discrete parameters, we instead maximize the expectation of the AF over a probability distribution defined by continuous parameters. We prove that under suitable reparameterizations, the BO policy that maximizes the probabilistic objective is the same as that which maximizes the AF, and therefore, PR enjoys the same regret bounds as the original BO policy using the underlying AF. Moreover, our approach provably converges to a stationary point of the probabilistic objective under gradient ascent using scalable, unbiased estimators of both the probabilistic objective and its gradient. Therefore, as the number of starting points and gradient steps increase, our approach will recover of a maximizer of the AF (an often-neglected requisite for commonly used BO regret bounds). We validate our approach empirically and demonstrate state-of-the-art optimization performance on a wide range of real-world applications. PR is complementary to (and benefits) recent work and naturally generalizes to settings with multiple objectives and black-box constraints.

We propose a two-stage unsupervised approach for parsing videos into phases. We use motion cues to divide the video into coarse segments. Noisy segment labels are then used to weakly supervise an appearance-based classifier. We show the effectiveness of the method for phase detection in colonoscopy videos.

We propose a non-iterative method to optimize pseudo-labeling thresholds for learning object detection from a collection of low-cost datasets, each of which is annotated for only a subset of all the object classes. A popular approach to this problem is first to train teacher models and then to use their confident predictions as pseudo ground-truth labels when training a student model. To obtain the best result, however, thresholds for prediction confidence must be adjusted. This process typically involves iterative search and repeated training of student models and is time-consuming. Therefore, we develop a method to optimize the thresholds without iterative optimization by maximizing the $F_\beta$-score on a validation dataset, which measures the quality of pseudo labels and can be measured without training a student model. We experimentally demonstrate that our proposed method achieves an mAP comparable to that of grid search on the COCO and VOC datasets.

Adversarial robustness is a key desirable property of neural networks. It has been empirically shown to be affected by their sizes, with larger networks being typically more robust. Recently, Bubeck and Sellke proved a lower bound on the Lipschitz constant of functions that fit the training data in terms of their number of parameters. This raises an interesting open question, do -- and can -- functions with more parameters, but not necessarily more computational cost, have better robustness? We study this question for sparse Mixture of Expert models (MoEs), that make it possible to scale up the model size for a roughly constant computational cost. We theoretically show that under certain conditions on the routing and the structure of the data, MoEs can have significantly smaller Lipschitz constants than their dense counterparts. The robustness of MoEs can suffer when the highest weighted experts for an input implement sufficiently different functions. We next empirically evaluate the robustness of MoEs on ImageNet using adversarial attacks and show they are indeed more robust than dense models with the same computational cost. We make key observations showing the robustness of MoEs to the choice of experts, highlighting the redundancy of experts in models trained in practice.

The goal of this thesis is to develop the optimisation and generalisation theoretic foundations of learning in artificial neural networks. On optimisation, a new theoretical framework is proposed for deriving architecture-dependent first-order optimisation algorithms. The approach works by combining a "functional majorisation" of the loss function with "architectural perturbation bounds" that encode an explicit dependence on neural architecture. The framework yields optimisation methods that transfer hyperparameters across learning problems. On generalisation, a new correspondence is proposed between ensembles of networks and individual networks. It is argued that, as network width and normalised margin are taken large, the space of networks that interpolate a particular training set concentrates on an aggregated Bayesian method known as a "Bayes point machine". This correspondence provides a route for transferring PAC-Bayesian generalisation theorems over to individual networks. More broadly, the correspondence presents a fresh perspective on the role of regularisation in networks with vastly more parameters than data.

The generalization with respect to domain shifts, as they frequently appear in applications such as autonomous driving, is one of the remaining big challenges for deep learning models. Therefore, we propose an intra-source style augmentation (ISSA) method to improve domain generalization in semantic segmentation. Our method is based on a novel masked noise encoder for StyleGAN2 inversion. The model learns to faithfully reconstruct the image preserving its semantic layout through noise prediction. Random masking of the estimated noise enables the style mixing capability of our model, i.e. it allows to alter the global appearance without affecting the semantic layout of an image. Using the proposed masked noise encoder to randomize style and content combinations in the training set, ISSA effectively increases the diversity of training data and reduces spurious correlation. As a result, we achieve up to $12.4\%$ mIoU improvements on driving-scene semantic segmentation under different types of data shifts, i.e., changing geographic locations, adverse weather conditions, and day to night. ISSA is model-agnostic and straightforwardly applicable with CNNs and Transformers. It is also complementary to other domain generalization techniques, e.g., it improves the recent state-of-the-art solution RobustNet by $3\%$ mIoU in Cityscapes to Dark Z\"urich.

Learning With Opponent-Learning Awareness (LOLA) (Foerster et al. [2018a]) is a multi-agent reinforcement learning algorithm that typically learns reciprocity-based cooperation in partially competitive environments. However, LOLA often fails to learn such behaviour on more complex policy spaces parameterized by neural networks, partly because the update rule is sensitive to the policy parameterization. This problem is especially pronounced in the opponent modeling setting, where the opponent's policy is unknown and must be inferred from observations; in such settings, LOLA is ill-specified because behaviorally equivalent opponent policies can result in non-equivalent updates. To address this shortcoming, we reinterpret LOLA as approximating a proximal operator, and then derive a new algorithm, proximal LOLA (POLA), which uses the proximal formulation directly. Unlike LOLA, the POLA updates are parameterization invariant, in the sense that when the proximal objective has a unique optimum, behaviorally equivalent policies result in behaviorally equivalent updates. We then present practical approximations to the ideal POLA update, which we evaluate in several partially competitive environments with function approximation and opponent modeling. This empirically demonstrates that POLA achieves reciprocity-based cooperation more reliably than LOLA.

Selective classification (or classification with a reject option) pairs a classifier with a selection function to determine whether or not a prediction should be accepted. This framework trades off coverage (probability of accepting a prediction) with predictive performance, typically measured by distributive loss functions. In many application scenarios, such as credit scoring, performance is instead measured by ranking metrics, such as the Area Under the ROC Curve (AUC). We propose a model-agnostic approach to associate a selection function to a given probabilistic binary classifier. The approach is specifically targeted at optimizing the AUC. We provide both theoretical justifications and a novel algorithm, called $AUCross$, to achieve such a goal. Experiments show that $AUCross$ succeeds in trading-off coverage for AUC, improving over existing selective classification methods targeted at optimizing accuracy.

Contrastive self-supervised learning (CSL) with a prototypical regularization has been introduced in learning meaningful representations for downstream tasks that require strong semantic information. However, to optimize CSL with a loss that performs the prototypical regularization aggressively, e.g., the ProtoNCE loss, might cause the "coagulation" of examples in the embedding space. That is, the intra-prototype diversity of samples collapses to trivial solutions for their prototype being well-separated from others. Motivated by previous works, we propose to mitigate this phenomenon by learning Prototypical representation through Alignment, Uniformity and Correlation (PAUC). Specifically, the ordinary ProtoNCE loss is revised with: (1) an alignment loss that pulls embeddings from positive prototypes together; (2) a uniformity loss that distributes the prototypical level features uniformly; (3) a correlation loss that increases the diversity and discriminability between prototypical level features. We conduct extensive experiments on various benchmarks where the results demonstrate the effectiveness of our method in improving the quality of prototypical contrastive representations. Particularly, in the classification down-stream tasks with linear probes, our proposed method outperforms the state-of-the-art instance-wise and prototypical contrastive learning methods on the ImageNet-100 dataset by 2.96% and the ImageNet-1K dataset by 2.46% under the same settings of batch size and epochs.

Training deep learning models can be computationally expensive. Prior works have shown that increasing the batch size can potentially lead to better overall throughput. However, the batch size is frequently limited by the accelerator memory capacity due to the activations/feature maps stored for the training backward pass, as larger batch sizes require larger feature maps to be stored. Transformer-based models, which have recently seen a surge in popularity due to their good performance and applicability to a variety of tasks, have a similar problem. To remedy this issue, we propose Tempo, a new approach to efficiently use accelerator (e.g., GPU) memory resources for training Transformer-based models. Our approach provides drop-in replacements for the GELU, LayerNorm, and Attention layers, reducing the memory usage and ultimately leading to more efficient training. We implement Tempo and evaluate the throughput, memory usage, and accuracy/loss on the BERT Large pre-training task. We demonstrate that Tempo enables up to 2x higher batch sizes and 16% higher training throughput over the state-of-the-art baseline. We also evaluate Tempo on GPT2 and RoBERTa models, showing 19% and 26% speedup over the baseline.

Curriculum Reinforcement Learning (CRL) aims to create a sequence of tasks, starting from easy ones and gradually learning towards difficult tasks. In this work, we focus on the idea of framing CRL as interpolations between a source (auxiliary) and a target task distribution. Although existing studies have shown the great potential of this idea, it remains unclear how to formally quantify and generate the movement between task distributions. Inspired by the insights from gradual domain adaptation in semi-supervised learning, we create a natural curriculum by breaking down the potentially large task distributional shift in CRL into smaller shifts. We propose GRADIENT, which formulates CRL as an optimal transport problem with a tailored distance metric between tasks. Specifically, we generate a sequence of task distributions as a geodesic interpolation (i.e., Wasserstein barycenter) between the source and target distributions. Different from many existing methods, our algorithm considers a task-dependent contextual distance metric and is capable of handling nonparametric distributions in both continuous and discrete context settings. In addition, we theoretically show that GRADIENT enables smooth transfer between subsequent stages in the curriculum under certain conditions. We conduct extensive experiments in locomotion and manipulation tasks and show that our proposed GRADIENT achieves higher performance than baselines in terms of learning efficiency and asymptotic performance.

Image copy detection and retrieval from large databases leverage two components. First, a neural network maps an image to a vector representation, that is relatively robust to various transformations of the image. Second, an efficient but approximate similarity search algorithm trades scalability (size and speed) against quality of the search, thereby introducing a source of error. This paper improves the robustness of image copy detection with active indexing, that optimizes the interplay of these two components. We reduce the quantization loss of a given image representation by making imperceptible changes to the image before its release. The loss is back-propagated through the deep neural network back to the image, under perceptual constraints. These modifications make the image more retrievable. Our experiments show that the retrieval and copy detection of activated images is significantly improved. For instance, activation improves by $+40\%$ the Recall1@1 on various image transformations, and for several popular indexing structures based on product quantization and locality sensitivity hashing.

The recent advances in reinforcement learning have led to effective methods able to obtain above human-level performances in very complex environments. However, once solved, these environments become less valuable, and new challenges with different or more complex scenarios are needed to support research advances. This work presents DIAMBRA Arena, a new platform for reinforcement learning research and experimentation, featuring a collection of high-quality environments exposing a Python API fully compliant with OpenAI Gym standard. They are episodic tasks with discrete actions and observations composed by raw pixels plus additional numerical values, all supporting both single player and two players mode, allowing to work on standard reinforcement learning, competitive multi-agent, human-agent competition, self-play, human-in-the-loop training and imitation learning. Software capabilities are demonstrated by successfully training multiple deep reinforcement learning agents with proximal policy optimization obtaining human-like behavior. Results confirm the utility of DIAMBRA Arena as a reinforcement learning research tool, providing environments designed to study some of the most challenging topics in the field.

Learning rate adaptation is a popular topic in machine learning. Gradient Descent trains neural nerwork with a fixed learning rate. Learning rate adaptation is proposed to accelerate the training process through adjusting the step size in the training session. Famous works include Momentum, Adam and Hypergradient. Hypergradient is the most special one. Hypergradient achieved adaptation by calculating the derivative of learning rate with respect to cost function and utilizing gradient descent for learning rate. However, Hypergradient is still not perfect. In practice, Hypergradient fail to decrease training loss after learning rate adaptation with a large probability. Apart from that, evidence has been found that Hypergradient are not suitable for dealing with large datesets in the form of minibatch training. Most unfortunately, Hypergradient always fails to get a good accuracy on the validation dataset although it could reduce training loss to a very tiny value. To solve Hypergradient's problems, we propose a novel adaptation algorithm, where learning rate is parameter specific and internal structured. We conduct extensive experiments on multiple network models and datasets compared with various benchmark optimizers. It is shown that our algorithm can achieve faster and higher qualified convergence than those state-of-art optimizers.

Proper citation is of great importance in academic writing for it enables knowledge accumulation and maintains academic integrity. However, citing properly is not an easy task. For published scientific entities, the ever-growing academic publications and over-familiarity of terms easily lead to missing citations. To deal with this situation, we design a special method Citation Recommendation for Published Scientific Entity (CRPSE) based on the cooccurrences between published scientific entities and in-text citations in the same sentences from previous researchers. Experimental outcomes show the effectiveness of our method in recommending the source papers for published scientific entities. We further conduct a statistical analysis on missing citations among papers published in prestigious computer science conferences in 2020. In the 12,278 papers collected, 475 published scientific entities of computer science and mathematics are found to have missing citations. Many entities mentioned without citations are found to be well-accepted research results. On a median basis, the papers proposing these published scientific entities with missing citations were published 8 years ago, which can be considered the time frame for a published scientific entity to develop into a well-accepted concept. For published scientific entities, we appeal for accurate and full citation of their source papers as required by academic standards.

Reservoir Computing (RC) is a simple and efficient model-free framework for data-driven predictions of nonlinear dynamical systems. Recently, Next Generation Reservoir Computing (NGRC) has emerged as an especially attractive variant of RC. By shifting the nonlinearity from the reservoir to the readout layer, NGRC requires less data and has fewer hyperparameters to optimize, making it suitable for challenging tasks such as predicting basins of attraction. Here, using paradigmatic multistable systems including magnetic pendulums and coupled Kuramoto oscillators, we show that the performance of NGRC models can be extremely sensitive to the choice of readout nonlinearity. In particular, by incorporating the exact nonlinearity from the original equations, NGRC trained on a single trajectory can predict pseudo-fractal basins with almost perfect accuracy. However, even a small uncertainty on the exact nonlinearity can completely break NGRC, rendering the prediction accuracy no better than chance. This creates a catch-22 for NGRC since it may not be able to make useful predictions unless a key part of the system being predicted (i.e., its nonlinearity) is already known. Our results highlight the challenges faced by data-driven methods in learning complex dynamical systems.

A distribution shift can have fundamental consequences such as signaling a change in the operating environment or significantly reducing the accuracy of downstream models. Thus, understanding distribution shifts is critical for examining and hopefully mitigating the effect of such a shift. Most prior work has focused on merely detecting if a shift has occurred and assumes any detected shift can be understood and handled appropriately by a human operator. We hope to aid in these manual mitigation tasks by explaining the distribution shift using interpretable transportation maps from the original distribution to the shifted one. We derive our interpretable mappings from a relaxation of the optimal transport problem, where the candidate mappings are restricted to a set of interpretable mappings. We then use quintessential examples of distribution shift in simulated and real-world cases to showcase how our explanatory mappings provide a better balance between detail and interpretability than the de facto standard mean shift explanation by both visual inspection and our PercentExplained metric.

Imitation learning (IL) can generate computationally efficient sensorimotor policies from demonstrations provided by computationally expensive model-based sensing and control algorithms. However, commonly employed IL methods are often data-inefficient, requiring the collection of a large number of demonstrations and producing policies with limited robustness to uncertainties. In this work, we combine IL with an output feedback robust tube model predictive controller (RTMPC) to co-generate demonstrations and a data augmentation strategy to efficiently learn neural network-based sensorimotor policies. Thanks to the augmented data, we reduce the computation time and the number of demonstrations needed by IL, while providing robustness to sensing and process uncertainty. We tailor our approach to the task of learning a trajectory tracking visuomotor policy for an aerial robot, leveraging a 3D mesh of the environment as part of the data augmentation process. We numerically demonstrate that our method can learn a robust visuomotor policy from a single demonstration--a two-orders of magnitude improvement in demonstration efficiency compared to existing IL methods.

Recommender systems can be characterized as software solutions that provide users convenient access to relevant content. Traditionally, recommender systems research predominantly focuses on developing machine learning algorithms that aim to predict which content is relevant for individual users. In real-world applications, however, optimizing the accuracy of such relevance predictions as a single objective in many cases is not sufficient. Instead, multiple and often competing objectives have to be considered, leading to a need for more research in multi-objective recommender systems. We can differentiate between several types of such competing goals, including (i) competing recommendation quality objectives at the individual and aggregate level, (ii) competing objectives of different involved stakeholders, (iii) long-term vs. short-term objectives, (iv) objectives at the user interface level, and (v) system level objectives. In this paper we review these types of multi-objective recommendation settings and outline open challenges in this area.

With more people publishing their personal data online, unauthorized data usage has become a serious concern. The unlearnable strategies have been introduced to prevent third parties from training on the data without permission. They add perturbations to the users' data before publishing, which aims to make the models trained on the perturbed published dataset invalidated. These perturbations have been generated for a specific training setting and a target dataset. However, their unlearnable effects significantly decrease when used in other training settings and datasets. To tackle this issue, we propose a novel unlearnable strategy based on Classwise Separability Discriminant (CSD), which aims to better transfer the unlearnable effects to other training settings and datasets by enhancing the linear separability. Extensive experiments demonstrate the transferability of the proposed unlearnable examples across training settings and datasets.

As industrial applications are increasingly automated by machine learning models, enforcing personal data ownership and intellectual property rights requires tracing training data back to their rightful owners. Membership inference algorithms approach this problem by using statistical techniques to discern whether a target sample was included in a model's training set. However, existing methods only utilize the unaltered target sample or simple augmentations of the target to compute statistics. Such a sparse sampling of the model's behavior carries little information, leading to poor inference capabilities. In this work, we use adversarial tools to directly optimize for queries that are discriminative and diverse. Our improvements achieve significantly more accurate membership inference than existing methods, especially in offline scenarios and in the low false-positive regime which is critical in legal settings. Code is available at https://github.com/YuxinWenRick/canary-in-a-coalmine.

Transitioning from fossil fuels to renewable energy sources is a critical global challenge; it demands advances at the levels of materials, devices, and systems for the efficient harvesting, storage, conversion, and management of renewable energy. Researchers globally have begun incorporating machine learning (ML) techniques with the aim of accelerating these advances. ML technologies leverage statistical trends in data to build models for prediction of material properties, generation of candidate structures, optimization of processes, among other uses; as a result, they can be incorporated into discovery and development pipelines to accelerate progress. Here we review recent advances in ML-driven energy research, outline current and future challenges, and describe what is required moving forward to best lever ML techniques. To start, we give an overview of key ML concepts. We then introduce a set of key performance indicators to help compare the benefits of different ML-accelerated workflows for energy research. We discuss and evaluate the latest advances in applying ML to the development of energy harvesting (photovoltaics), storage (batteries), conversion (electrocatalysis), and management (smart grids). Finally, we offer an outlook of potential research areas in the energy field that stand to further benefit from the application of ML.

We present CLEAR, a method for learning session-specific causal graphs, in the possible presence of latent confounders, from attention in pre-trained attention-based recommenders. These causal graphs describe user behavior, within the context captured by attention, and can provide a counterfactual explanation for a recommendation. In essence, these causal graphs allow answering "why" questions uniquely for any specific session. Using empirical evaluations we show that, compared to naively using attention weights to explain input-output relations, counterfactual explanations found by CLEAR are shorter and an alternative recommendation is ranked higher in the original top-k recommendations.

In this paper we propose a kernel based COBRA which is a direct approximation of the original COBRA. We propose a novel tuning procedure for original COBRA parameters based on this kernel approximation. We show that our proposed algorithm provides much better accuracy than other COBRAs and faster than usual Gridsearch COBRA. We use two datasets to illustrate our proposed methodology over existing COBRAs.

With the rapid development of machine learning, improving its explainability has become a crucial research goal. We study the problem of making the clusters more explainable by investigating the cluster descriptors. Given a set of objects $S$, a clustering of these objects $\pi$, and a set of tags $T$ that have not participated in the clustering algorithm. Each object in $S$ is associated with a subset of $T$. The goal is to find a representative set of tags for each cluster, referred to as the cluster descriptors, with the constraint that these descriptors we find are pairwise disjoint, and the total size of all the descriptors is minimized. In general, this problem is NP-hard. We propose a novel explainability model that reinforces the previous models in such a way that tags that do not contribute to explainability and do not sufficiently distinguish between clusters are not added to the optimal descriptors. The proposed model is formulated as a quadratic unconstrained binary optimization problem which makes it suitable for solving on modern optimization hardware accelerators. We experimentally demonstrate how a proposed explainability model can be solved on specialized hardware for accelerating combinatorial optimization, the Fujitsu Digital Annealer, and use real-life Twitter and PubMed datasets for use cases.

Due to their disordered structure, glasses present a unique challenge in predicting the composition-property relationships. Recently, several attempts have been made to predict the glass properties using machine learning techniques. However, these techniques have the limitations, namely, (i) predictions are limited to the components that are present in the original dataset, and (ii) predictions towards the extreme values of the properties, important regions for new materials discovery, are not very reliable due to the sparse datapoints in this region. To address these challenges, here we present a low complexity neural network (LCNN) that provides improved performance in predicting the properties of oxide glasses. In addition, we combine the LCNN with physical and chemical descriptors that allow the development of universal models that can provide predictions for components beyond the training set. By training on a large dataset (~50000) of glass components, we show the LCNN outperforms state-of-the-art algorithms such as XGBoost. In addition, we interpret the LCNN models using Shapely additive explanations to gain insights into the role played by the descriptors in governing the property. Finally, we demonstrate the universality of the LCNN models by predicting the properties for glasses with new components that were not present in the original training set. Altogether, the present approach provides a promising direction towards accelerated discovery of novel glass compositions.

While the Vision Transformer has been used in gait recognition, its application in multi-view gait recognition is still limited. Different views significantly affect the extraction and identification accuracy of the characteristics of gait contour. To address this, this paper proposes a Siamese Mobile Vision Transformer (SMViT). This model not only focuses on the local characteristics of the human gait space but also considers the characteristics of long-distance attention associations, which can extract multi-dimensional step status characteristics. In addition, it describes how different perspectives affect gait characteristics and generate reliable perspective feature relationship factors. The average recognition rate of SMViT on the CASIA B data set reached 96.4%. The experimental results show that SMViT can attain state-of-the-art performance compared to advanced step recognition models such as GaitGAN, Multi_view GAN, Posegait and other gait recognition models.

Missing data imputation (MDI) is crucial when dealing with tabular datasets across various domains. Autoencoders can be trained to reconstruct missing values, and graph autoencoders (GAE) can additionally consider similar patterns in the dataset when imputing new values for a given instance. However, previously proposed GAEs suffer from scalability issues, requiring the user to define a similarity metric among patterns to build the graph connectivity beforehand. In this paper, we leverage recent progress in latent graph imputation to propose a novel EdGe Generation Graph AutoEncoder (EGG-GAE) for missing data imputation that overcomes these two drawbacks. EGG-GAE works on randomly sampled mini-batches of the input data (hence scaling to larger datasets), and it automatically infers the best connectivity across the mini-batch for each architecture layer. We also experiment with several extensions, including an ensemble strategy for inference and the inclusion of what we call prototype nodes, obtaining significant improvements, both in terms of imputation error and final downstream accuracy, across multiple benchmarks and baselines.

In this era of information explosion, a personalized recommendation system is convenient for users to get information they are interested in. To deal with billions of users and items, large-scale online recommendation services usually consist of three stages: candidate generation, coarse-grained ranking, and fine-grained ranking. The success of each stage depends on whether the model accurately captures the interests of users, which are usually hidden in users' behavior data. Previous research shows that users' interests are diverse, and one vector is not sufficient to capture users' different preferences. Therefore, many methods use multiple vectors to encode users' interests. However, there are two unsolved problems: (1) The similarity of different vectors in existing methods is too high, with too much redundant information. Consequently, the interests of users are not fully represented. (2) Existing methods model the long-term and short-term behaviors together, ignoring the differences between them. This paper proposes a Hierarchical Multi-Interest Co-Network (HCN) to capture users' diverse interests in the coarse-grained ranking stage. Specifically, we design a hierarchical multi-interest extraction layer to update users' diverse interest centers iteratively. The multiple embedded vectors obtained in this way contain more information and represent the interests of users better in various aspects. Furthermore, we develop a Co-Interest Network to integrate users' long-term and short-term interests. Experiments on several real-world datasets and one large-scale industrial dataset show that HCN effectively outperforms the state-of-the-art methods. We deploy HCN into a large-scale real world E-commerce system and achieve extra 2.5\% improvements on GMV (Gross Merchandise Value).

Linear transformers aim to reduce the quadratic space-time complexity of vanilla transformers. However, they usually suffer from degraded performances on various tasks and corpus. In this paper, we examine existing kernel-based linear transformers and identify two key issues that lead to such performance gaps: 1) unbounded gradients in the attention computation adversely impact the convergence of linear transformer models; 2) attention dilution which trivially distributes attention scores over long sequences while neglecting neighbouring structures. To address these issues, we first identify that the scaling of attention matrices is the devil in unbounded gradients, which turns out unnecessary in linear attention as we show theoretically and empirically. To this end, we propose a new linear attention that replaces the scaling operation with a normalization to stabilize gradients. For the issue of attention dilution, we leverage a diagonal attention to confine attention to only neighbouring tokens in early layers. Benefiting from the stable gradients and improved attention, our new linear transformer model, transNormer, demonstrates superior performance on text classification and language modeling tasks, as well as on the challenging Long-Range Arena benchmark, surpassing vanilla transformer and existing linear variants by a clear margin while being significantly more space-time efficient. The code is available at https://github.com/OpenNLPLab/Transnormer .

Multi-view approaches to people-tracking have the potential to better handle occlusions than single-view ones in crowded scenes. They often rely on the tracking-by-detection paradigm, which involves detecting people first and then connecting the detections. In this paper, we argue that an even more effective approach is to predict people motion over time and infer people's presence in individual frames from these. This enables to enforce consistency both over time and across views of a single temporal frame. We validate our approach on the PETS2009 and WILDTRACK datasets and demonstrate that it outperforms state-of-the-art methods.

Joint intent detection and slot filling is a key research topic in natural language understanding (NLU). Existing joint intent and slot filling systems analyze and compute features collectively for all slot types, and importantly, have no way to explain the slot filling model decisions. In this work, we propose a novel approach that: (i) learns to generate additional slot type specific features in order to improve accuracy and (ii) provides explanations for slot filling decisions for the first time in a joint NLU model. We perform an additional constrained supervision using a set of binary classifiers for the slot type specific feature learning, thus ensuring appropriate attention weights are learned in the process to explain slot filling decisions for utterances. Our model is inherently explainable and does not need any post-hoc processing. We evaluate our approach on two widely used datasets and show accuracy improvements. Moreover, a detailed analysis is also provided for the exclusive slot explainability.

Deep learning with deep neural networks (DNNs) has attracted tremendous attention from various fields of science and technology recently. Activation functions for a DNN define the output of a neuron given an input or set of inputs. They are essential and inevitable in learning non-linear transformations and performing diverse computations among successive neuron layers. Thus, the design of activation functions is still an important topic in deep learning research. Meanwhile, theoretical studies on the approximation ability of DNNs with activation functions have been investigated within the last few years. In this paper, we propose a new activation function, named as "DLU", and investigate its approximation ability for functions with various smoothness and structures. Our theoretical results show that DLU networks can process competitive approximation performance with rational and ReLU networks, and have some advantages. Numerical experiments are conducted comparing DLU with the existing activations-ReLU, Leaky ReLU, and ELU, which illustrate the good practical performance of DLU.

We study the way DALLE-2 maps symbols (words) in the prompt to their references (entities or properties of entities in the generated image). We show that in stark contrast to the way human process language, DALLE-2 does not follow the constraint that each word has a single role in the interpretation, and sometimes re-use the same symbol for different purposes. We collect a set of stimuli that reflect the phenomenon: we show that DALLE-2 depicts both senses of nouns with multiple senses at once; and that a given word can modify the properties of two distinct entities in the image, or can be depicted as one object and also modify the properties of another object, creating a semantic leakage of properties between entities. Taken together, our study highlights the differences between DALLE-2 and human language processing and opens an avenue for future study on the inductive biases of text-to-image models.

Domain adaptation is a potential method to train a powerful deep neural network, which can handle the absence of labeled data. More precisely, domain adaptation solving the limitation called dataset bias or domain shift when the training dataset and testing dataset are extremely different. Adversarial adaptation method becoming popular among other domain adaptation methods. Relies on the idea of GAN, adversarial domain adaptation tries to minimize the distribution between training and testing datasets base on the adversarial object. However, some conventional adversarial domain adaptation methods cannot handle large domain shifts between two datasets or the generalization ability of these methods are inefficient. In this paper, we propose an improved adversarial domain adaptation method called Semi-Supervised Adversarial Discriminative Domain Adaptation (SADDA), which can overcome the limitation of other domain adaptation. We also show that SADDA has better performance than other adversarial adaptation methods and illustrate the promise of our method on digit classification and emotion recognition problems.

In this paper, we present AnalogVNN, a simulation framework built on PyTorch which can simulate the effects of optoelectronic noise, limited precision, and signal normalization present in photonic neural network accelerators. We use this framework to train and optimize linear and convolutional neural networks with up to 9 layers and ~1.7 million parameters, while gaining insights into how normalization, activation function, reduced precision, and noise influence accuracy in analog photonic neural networks. By following the same layer structure design present in PyTorch, the AnalogVNN framework allows users to convert most digital neural network models to their analog counterparts with just a few lines of code, taking full advantage of the open-source optimization, deep learning, and GPU acceleration libraries available through PyTorch.

Raman spectroscopy is a promising technique used for noninvasive analysis of samples in various fields of application due to its ability for fingerprint probing of samples at the molecular level. Chemometrics methods are widely used nowadays for better understanding of the recorded spectral fingerprints of samples and differences in their chemical composition. This review considers a number of manuscripts published in the Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy Journal that presented findings regarding the application of Raman spectroscopy in combination with chemometrics to study samples and their changes caused by different factors. In 57 reviewed manuscripts, we analyzed application of chemometrics algorithms, statistical modeling parameters, utilization of cross validation, sample sizes, as well as the performance of the proposed classification and regression model. We summarized the best strategies for creating classification models and highlighted some common drawbacks when it comes to the application of chemometrics techniques. According to our estimations, about 70% of the papers are likely to contain unsupported or invalid data due to insufficient description of the utilized methods or drawbacks of the proposed classification models. These drawbacks include: (1) insufficient experimental sample size for classification/regression to achieve significant and reliable results, (2) lack of cross validation (or a test set) for verification of the classifier/regression performance, (3) incorrect division of the spectral data into the training and the test/validation sets; (4) improper selection of the PC number to reduce the analyzed spectral data dimension.

We propose a goodness-of-fit measure for probability densities modelling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalised densities. Existing KSDs require the model to be defined on a fixed-dimension space. As our major contributions, we extend the KSD to the variable dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalised, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.

Unsupervised representation learning for dynamic graphs has attracted a lot of research attention in recent years. Compared with static graphs, dynamic graphs are the integrative reflection of both the temporal-invariant or stable characteristics of nodes and the dynamic-fluctuate preference changing with time. However, existing dynamic graph representation learning methods generally confound these two types of information into a shared representation space, which may lead to poor explanation, less robustness, and a limited ability when applied to different downstream tasks. Taking the real dynamic graphs of daily capital transactions on Tencent as an example, the learned representation of the state-of-the-art method achieves only 32% accuracy in predicting temporal-invariant characteristics of users like annual income. In this paper, we introduce a novel temporal invariance-fluctuation disentangled representation learning framework for dynamic graphs, namely DyTed. In particular, we propose a temporal-invariant representation generator and a dynamic-fluctuate representation generator with carefully designed pretext tasks to identify the two types of representations in dynamic graphs. To further enhance the disentanglement or separation, we propose a disentanglement-aware discriminator under an adversarial learning framework. Extensive experiments on Tencent and five commonly used public datasets demonstrate that the different parts of our disentangled representation can achieve state-of-the-art performance on various downstream tasks, as well as be more robust against noise, and is a general framework that can further improve existing methods.  ( 3 min )

In this paper, we present results of an auditing study performed over YouTube aimed at investigating how fast a user can get into a misinformation filter bubble, but also what it takes to "burst the bubble", i.e., revert the bubble enclosure. We employ a sock puppet audit methodology, in which pre-programmed agents (acting as YouTube users) delve into misinformation filter bubbles by watching misinformation promoting content. Then they try to burst the bubbles and reach more balanced recommendations by watching misinformation debunking content. We record search results, home page results, and recommendations for the watched videos. Overall, we recorded 17,405 unique videos, out of which we manually annotated 2,914 for the presence of misinformation. The labeled data was used to train a machine learning model classifying videos into three classes (promoting, debunking, neutral) with the accuracy of 0.82. We use the trained model to classify the remaining videos that would not be feasible to annotate manually. Using both the manually and automatically annotated data, we observe the misinformation bubble dynamics for a range of audited topics. Our key finding is that even though filter bubbles do not appear in some situations, when they do, it is possible to burst them by watching misinformation debunking content (albeit it manifests differently from topic to topic). We also observe a sudden decrease of misinformation filter bubble effect when misinformation debunking videos are watched after misinformation promoting videos, suggesting a strong contextuality of recommendations. Finally, when comparing our results with a previous similar study, we do not observe significant improvements in the overall quantity of recommended misinformation content.  ( 3 min )

Understanding the determinants underlying variations in urban health status is important for informing urban design and planning, as well as public health policies. Multiple heterogeneous urban features could modulate the prevalence of diseases across different neighborhoods in cities and across different cities. This study examines heterogeneous features related to socio-demographics, population activity, mobility, and the built environment and their non-linear interactions to examine intra- and inter-city disparity in prevalence of four disease types: obesity, diabetes, cancer, and heart disease. Features related to population activity, mobility, and facility density are obtained from large-scale anonymized mobility data. These features are used in training and testing graph attention network (GAT) models to capture non-linear feature interactions as well as spatial interdependence among neighborhoods. We tested the models in five U.S. cities across the four disease types. The results show that the GAT model can predict the health status of people in neighborhoods based on the top five determinant features. The findings unveil that population activity and built-environment features along with socio-demographic features differentiate the health status of neighborhoods to such a great extent that a GAT model could predict the health status using these features with high accuracy. The results also show that the model trained on one city can predict health status in another city with high accuracy, allowing us to quantify the inter-city similarity and discrepancy in health status. The model and findings provide novel approaches and insights for urban designers, planners, and public health officials to better understand and improve health disparities in cities by considering the significant determinant features and their interactions.  ( 3 min )

We propose a nonparametric quantile regression method using deep neural networks with a rectified linear unit penalty function to avoid quantile crossing. This penalty function is computationally feasible for enforcing non-crossing constraints in multi-dimensional nonparametric quantile regression. We establish non-asymptotic upper bounds for the excess risk of the proposed nonparametric quantile regression function estimators. Our error bounds achieve optimal minimax rate of convergence for the Holder class, and the prefactors of the error bounds depend polynomially on the dimension of the predictor, instead of exponentially. Based on the proposed non-crossing penalized deep quantile regression, we construct conformal prediction intervals that are fully adaptive to heterogeneity. The proposed prediction interval is shown to have good properties in terms of validity and accuracy under reasonable conditions. We also derive non-asymptotic upper bounds for the difference of the lengths between the proposed non-crossing conformal prediction interval and the theoretically oracle prediction interval. Numerical experiments including simulation studies and a real data example are conducted to demonstrate the effectiveness of the proposed method.  ( 2 min )

Generalized sliced Wasserstein distance is a variant of sliced Wasserstein distance that exploits the power of non-linear projection through a given defining function to better capture the complex structures of the probability distributions. Similar to sliced Wasserstein distance, generalized sliced Wasserstein is defined as an expectation over random projections which can be approximated by the Monte Carlo method. However, the complexity of that approximation can be expensive in high-dimensional settings. To that end, we propose to form deterministic and fast approximations of the generalized sliced Wasserstein distance by using the concentration of random projections when the defining functions are polynomial function, circular function, and neural network type function. Our approximations hinge upon an important result that one-dimensional projections of a high-dimensional random vector are approximately Gaussian.  ( 2 min )

Anomaly detection methods identify examples that do not follow the expected behaviour, typically in an unsupervised fashion, by assigning real-valued anomaly scores to the examples based on various heuristics. These scores need to be transformed into actual predictions by thresholding, so that the proportion of examples marked as anomalies equals the expected proportion of anomalies, called contamination factor. Unfortunately, there are no good methods for estimating the contamination factor itself. We address this need from a Bayesian perspective, introducing a method for estimating the posterior distribution of the contamination factor of a given unlabeled dataset. We leverage on outputs of several anomaly detectors as a representation that already captures the basic notion of anomalousness and estimate the contamination using a specific mixture formulation. Empirically on 22 datasets, we show that the estimated distribution is well-calibrated and that setting the threshold using the posterior mean improves the anomaly detectors' performance over several alternative methods. All code is publicly available for full reproducibility.  ( 2 min )

Existing adversarial learning methods for enhancing the robustness of deep neural networks assume the availability of a large amount of data from which we can generate adversarial examples. However, in an adversarial meta-learning setting, the model needs to train with only a few adversarial examples to learn a robust model for unseen tasks, which is a very difficult goal to achieve. Further, learning transferable robust representations for unseen domains is a difficult problem even with a large amount of data. To tackle such a challenge, we propose a novel adversarial self-supervised meta-learning framework with bilevel attacks which aims to learn robust representations that can generalize across tasks and domains. Specifically, in the inner loop, we update the parameters of the given encoder by taking inner gradient steps using two different sets of augmented samples, and generate adversarial examples for each view by maximizing the instance classification loss. Then, in the outer loop, we meta-learn the encoder parameter to maximize the agreement between the two adversarial examples, which enables it to learn robust representations. We experimentally validate the effectiveness of our approach on unseen domain adaptation tasks, on which it achieves impressive performance. Specifically, our method significantly outperforms the state-of-the-art meta-adversarial learning methods on few-shot learning tasks, as well as self-supervised learning baselines in standard learning settings with large-scale datasets.  ( 3 min )

Uncertainty quantification is one of the most crucial tasks to obtain trustworthy and reliable machine learning models for decision making. However, most research in this domain has only focused on problems with small label spaces and ignored eXtreme Multi-label Classification (XMC), which is an essential task in the era of big data for web-scale machine learning applications. Moreover, enormous label spaces could also lead to noisy retrieval results and intractable computational challenges for uncertainty quantification. In this paper, we aim to investigate general uncertainty quantification approaches for tree-based XMC models with a probabilistic ensemble-based framework. In particular, we analyze label-level and instance-level uncertainty in XMC, and propose a general approximation framework based on beam search to efficiently estimate the uncertainty with a theoretical guarantee under long-tail XMC predictions. Empirical studies on six large-scale real-world datasets show that our framework not only outperforms single models in predictive performance, but also can serve as strong uncertainty-based baselines for label misclassification and out-of-distribution detection, with significant speedup. Besides, our framework can further yield better state-of-the-art results based on deep XMC models with uncertainty quantification.  ( 2 min )

Representation learning for sketch-based image retrieval has mostly been tackled by learning embeddings that discard modality-specific information. As instances from different modalities can often provide complementary information describing the underlying concept, we propose a cross-attention framework for Vision Transformers (XModalViT) that fuses modality-specific information instead of discarding them. Our framework first maps paired datapoints from the individual photo and sketch modalities to fused representations that unify information from both modalities. We then decouple the input space of the aforementioned modality fusion network into independent encoders of the individual modalities via contrastive and relational cross-modal knowledge distillation. Such encoders can then be applied to downstream tasks like cross-modal retrieval. We demonstrate the expressive capacity of the learned representations by performing a wide range of experiments and achieving state-of-the-art results on three fine-grained sketch-based image retrieval benchmarks: Shoe-V2, Chair-V2 and Sketchy. Implementation is available at https://github.com/abhrac/xmodal-vit.  ( 2 min )

Sixth-generation (6G) networks anticipate intelligently supporting a massive number of coexisting and heterogeneous slices associated with various vertical use cases. Such a context urges the adoption of artificial intelligence (AI)-driven zero-touch management and orchestration (MANO) of the end-to-end (E2E) slices under stringent service level agreements (SLAs). Specifically, the trustworthiness of the AI black-boxes in real deployment can be achieved by explainable AI (XAI) tools to build transparency between the interacting actors in the slicing ecosystem, such as tenants, infrastructure providers and operators. Inspired by the turbo principle, this paper presents a novel iterative explainable federated learning (FL) approach where a constrained resource allocation model and an \emph{explainer} exchange -- in a closed loop (CL) fashion -- soft attributions of the features as well as inference predictions to achieve a transparent and SLA-aware zero-touch service management (ZSM) of 6G network slices at RAN-Edge setup under non-independent identically distributed (non-IID) datasets. In particular, we quantitatively validate the faithfulness of the explanations via the so-called attribution-based \emph{confidence metric} that is included as a constraint in the run-time FL optimization task. In this respect, Integrated-Gradient (IG) as well as Input $\times$ Gradient and SHAP are used to generate the attributions for the turbo explainable FL (TEFL), wherefore simulation results under different methods confirm its superiority over an unconstrained Integrated-Gradient \emph{post-hoc} FL baseline.  ( 3 min )

Neural network (NN) ensembles can reduce large prediction variance of NN and improve prediction accuracy. For highly nonlinear problems with insufficient data set, the prediction accuracy of NN models becomes unstable, resulting in a decrease in the accuracy of ensembles. Therefore, this study proposes a frequency distribution-based ensemble that identifies core prediction values, which are expected to be concentrated near the true prediction value. The frequency distribution-based ensemble classifies core prediction values supported by multiple prediction values by conducting statistical analysis with a frequency distribution, which is based on various prediction values obtained from a given prediction point. The frequency distribution-based ensemble can improve predictive performance by excluding prediction values with low accuracy and coping with the uncertainty of the most frequent value. An adaptive sampling strategy that sequentially adds samples based on the core prediction variance calculated as the variance of the core prediction values is proposed to improve the predictive performance of the frequency distribution-based ensemble efficiently. Results of various case studies show that the prediction accuracy of the frequency distribution-based ensemble is higher than that of Kriging and other existing ensemble methods. In addition, the proposed adaptive sampling strategy effectively improves the predictive performance of the frequency distribution-based ensemble compared with the previously developed space-filling and prediction variance-based strategies.  ( 2 min )

When a dynamical system can be modeled as a sequence of observations, Granger causality is a powerful approach for detecting predictive interactions between its variables. However, traditional Granger causal inference has limited utility in domains where the dynamics need to be represented as directed acyclic graphs (DAGs) rather than as a linear sequence, such as with cell differentiation trajectories. Here, we present GrID-Net, a framework based on graph neural networks with lagged message passing for Granger causal inference on DAG-structured systems. Our motivating application is the analysis of single-cell multimodal data to identify genomic loci that mediate the regulation of specific genes. To our knowledge, GrID-Net is the first single-cell analysis tool that accounts for the temporal lag between a genomic locus becoming accessible and its downstream effect on a target gene's expression. We applied GrID-Net on multimodal single-cell assays that profile chromatin accessibility (ATAC-seq) and gene expression (RNA-seq) in the same cell and show that it dramatically outperforms existing methods for inferring regulatory locus-gene links, achieving up to 71% greater agreement with independent population genetics-based estimates. By extending Granger causality to DAG-structured dynamical systems, our work unlocks new domains for causal analyses and, more specifically, opens a path towards elucidating gene regulatory interactions relevant to cellular differentiation and complex human diseases at unprecedented scale and resolution.  ( 3 min )

In this paper we present a bilevel optimization scheme for the solution of a general image deblurring problem, in which a parametric variational-like approach is encapsulated within a machine learning scheme to provide a high quality reconstructed image with automatically learned parameters. The ingredients of the variational lower level and the machine learning upper one are specifically chosen for the Helsinki Deblur Challenge 2021, in which sequences of letters are asked to be recovered from out-of-focus photographs with increasing levels of blur. Our proposed procedure for the reconstructed image consists in a fixed number of FISTA iterations applied to the minimization of an edge preserving and binarization enforcing regularized least-squares functional. The parameters defining the variational model and the optimization steps, which, unlike most deep learning approaches, all have a precise and interpretable meaning, are learned via either a similarity index or a support vector machine strategy. Numerical experiments on the test images provided by the challenge authors show significant gains with respect to a standard variational approach and performances comparable with those of some of the proposed deep learning based algorithms which require the optimization of millions of parameters.  ( 2 min )

Performance tuning, software/hardware co-design, and job scheduling are among the many tasks that rely on models to predict application performance. We propose and evaluate low rank tensor decomposition for modeling application performance. We use tensors to represent regular grids that discretize the input and configuration domain of an application. Application execution times mapped within grid-cells are averaged and represented by tensor elements. We show that low-rank canonical-polyadic (CP) tensor decomposition is effective in approximating these tensors. We then employ tensor completion to optimize a CP decomposition given a sparse set of observed runtimes. We consider alternative piecewise/grid-based (P/G) and supervised learning models for six applications and demonstrate that P/G models are significantly more accurate relative to model size. Among P/G models, CP decomposition of regular grids (CPR) offers higher accuracy and memory-efficiency, faster optimization, and superior extensibility via user-selected loss functions and domain partitioning. CPR models achieve a 2.18x geometric mean decrease in mean prediction error relative to the most accurate alternative models of size $\le$10 kilobytes.  ( 2 min )

Dissolution testing is part of the target product quality that is essential in approving new products in the pharmaceutical industry. The prediction of the dissolution profile based on spectroscopic data is an alternative to the current destructive and time-consuming method. Raman and near-infrared (NIR) spectroscopies are two fast and complementary methods that provide information on the tablets' physical and chemical properties and can help predict their dissolution profiles. This work aims to compare the information collected by these spectroscopy methods to support the decision of which measurements should be used so that the accuracy requirement of the industry is met. Artificial neural network models were created, in which the spectroscopy data and the measured compression curves were used as an input individually and in different combinations in order to estimate the dissolution profiles. Results showed that using only the NIR transmission method along with the compression force data or the Raman and NIR reflection methods, the dissolution profile was estimated within the acceptance limits of the f2 similarity factor. Adding further spectroscopy measurements increased the prediction accuracy.  ( 3 min )

Parallel imaging is a widely-used technique to accelerate magnetic resonance imaging (MRI). However, current methods still perform poorly in reconstructing artifact-free MRI images from highly undersampled k-space data. Recently, implicit neural representation (INR) has emerged as a new deep learning paradigm for learning the internal continuity of an object. In this study, we adopted INR to parallel MRI reconstruction. The MRI image was modeled as a continuous function of spatial coordinates. This function was parameterized by a neural network and learned directly from the measured k-space itself without additional fully sampled high-quality training data. Benefitting from the powerful continuous representations provided by INR, the proposed method outperforms existing methods by suppressing the aliasing artifacts and noise, especially at higher acceleration rates and smaller sizes of the auto-calibration signals. The high-quality results and scanning specificity make the proposed method hold the potential for further accelerating the data acquisition of parallel MRI.  ( 2 min )

Recent self-supervised pre-training methods on Heterogeneous Information Networks (HINs) have shown promising competitiveness over traditional semi-supervised Heterogeneous Graph Neural Networks (HGNNs). Unfortunately, their performance heavily depends on careful customization of various strategies for generating high-quality positive examples and negative examples, which notably limits their flexibility and generalization ability. In this work, we present SHGP, a novel Self-supervised Heterogeneous Graph Pre-training approach, which does not need to generate any positive examples or negative examples. It consists of two modules that share the same attention-aggregation scheme. In each iteration, the Att-LPA module produces pseudo-labels through structural clustering, which serve as the self-supervision signals to guide the Att-HGNN module to learn object embeddings and attention coefficients. The two modules can effectively utilize and enhance each other, promoting the model to learn discriminative embeddings. Extensive experiments on four real-world datasets demonstrate the superior effectiveness of SHGP against state-of-the-art unsupervised baselines and even semi-supervised baselines. We release our source code at: https://github.com/kepsail/SHGP.  ( 2 min )

While hierarchical variational autoencoders (VAEs) have achieved great density estimation on image modeling tasks, samples from their prior tend to look less convincing than models with similar log-likelihood. We attribute this to learned representations that over-emphasize compressing imperceptible details of the image. To address this, we introduce a KL-reweighting strategy to control the amount of infor mation in each latent group, and employ a Gaussian output layer to reduce sharpness in the learning objective. To trade off image diversity for fidelity, we additionally introduce a classifier-free guidance strategy for hierarchical VAEs. We demonstrate the effectiveness of these techniques in our experiments. Code is available at https://github.com/tcl9876/visual-vae.  ( 2 min )

Computing observables from conditioned dynamics is typically computationally hard, because, although obtaining independent samples efficiently from the unconditioned dynamics is usually feasible, generally most of the samples must be discarded (in a form of importance sampling) because they do not satisfy the imposed conditions. Sampling directly from the conditioned distribution is non-trivial, as conditioning breaks the causal properties of the dynamics which ultimately renders the sampling procedure efficient. One standard way of achieving it is through a Metropolis Monte-Carlo procedure, but this procedure is normally slow and a very large number of Monte-Carlo steps is needed to obtain a small number of statistically independent samples. In this work, we propose an alternative method to produce independent samples from a conditioned distribution. The method learns the parameters of a generalized dynamical model that optimally describe the conditioned distribution in a variational sense. The outcome is an effective, unconditioned, dynamical model, from which one can trivially obtain independent samples, effectively restoring causality of the conditioned distribution. The consequences are twofold: on the one hand, it allows us to efficiently compute observables from the conditioned dynamics by simply averaging over independent samples. On the other hand, the method gives an effective unconditioned distribution which is easier to interpret. The method is flexible and can be applied virtually to any dynamics. We discuss an important application of the method, namely the problem of epidemic risk assessment from (imperfect) clinical tests, for a large family of time-continuous epidemic models endowed with a Gillespie-like sampler. We show that the method compares favorably against the state of the art, including the soft-margin approach and mean-field methods.  ( 3 min )

We revisit the challenging problem of training Gaussian-Bernoulli restricted Boltzmann machines (GRBMs), introducing two innovations. We propose a novel Gibbs-Langevin sampling algorithm that outperforms existing methods like Gibbs sampling. We propose a modified contrastive divergence (CD) algorithm so that one can generate images with GRBMs starting from noise. This enables direct comparison of GRBMs with deep generative models, improving evaluation protocols in the RBM literature. Moreover, we show that modified CD and gradient clipping are enough to robustly train GRBMs with large learning rates, thus removing the necessity of various tricks in the literature. Experiments on Gaussian Mixtures, MNIST, FashionMNIST, and CelebA show GRBMs can generate good samples, despite their single-hidden-layer architecture. Our code is released at: \url{https://github.com/lrjconan/GRBM}.  ( 2 min )

We study differentially private (DP) algorithms for smooth stochastic minimax optimization, with stochastic minimization as a byproduct. The holy grail of these settings is to guarantee the optimal trade-off between the privacy and the excess population loss, using an algorithm with a linear time-complexity in the number of training samples. We provide a general framework for solving differentially private stochastic minimax optimization (DP-SMO) problems, which enables the practitioners to bring their own base optimization algorithm and use it as a black-box to obtain the near-optimal privacy-loss trade-off. Our framework is inspired from the recently proposed Phased-ERM method [22] for nonsmooth differentially private stochastic convex optimization (DP-SCO), which exploits the stability of the empirical risk minimization (ERM) for the privacy guarantee. The flexibility of our approach enables us to sidestep the requirement that the base algorithm needs to have bounded sensitivity, and allows the use of sophisticated variance-reduced accelerated methods to achieve near-linear time-complexity. To the best of our knowledge, these are the first near-linear time algorithms with near-optimal guarantees on the population duality gap for smooth DP-SMO, when the objective is (strongly-)convex--(strongly-)concave. Additionally, based on our flexible framework, we enrich the family of near-linear time algorithms for smooth DP-SCO with the near-optimal privacy-loss trade-off.  ( 3 min )

Ferromagnetic shape memory alloys (MSMAs), such as Ni-Mn-Ga single crystals, can exhibit the shape memory effect due to an applied magnetic field at room temperature. Under a variable magnetic field and a constant bias stress loading, MSMAs have been used for actuation applications. This work introduced a new feature to the existing macroscale magneto-mechanical model for Ni-Mn-Ga single crystal. This model includes the fact that the magnetic easy axis in the two variants is not exactly perpendicular as observed by D silva et al. This offset helps explain some of the power harvesting capabilities of MSMAs. Model predictions are compared to experimental data collected on a Ni-Mn-Ga single crystal. The experiments include both stress-controlled loading with constant bias magnetic field load (which mimics power harvesting or sensing) and fieldcontrolled loading with constant bias compressive stress (which mimics actuation). Each type of test was performed at several different load levels, and the applied field was measured without the MSMA specimen present so that demagnetization does not affect the experimentally measured field as suggested by Eberle et al. Results show decent agreement between model predictions and experimental data. Although the model predicts experimental results decently, it does not capture all the features of the experimental data. In order to capture all the experimental features, finally, a generalized regression neural network (GRNN) was used to train the experimental data (stress, strain, magnetic field, and emf) so that it can make a reasonably better prediction.  ( 3 min )

We introduce a simple modification to the standard maximum likelihood estimation (MLE) framework. Rather than maximizing a single unconditional likelihood of the data under the model, we maximize a family of \textit{noise conditional} likelihoods consisting of the data perturbed by a continuum of noise levels. We find that models trained this way are more robust to noise, obtain higher test likelihoods, and generate higher quality images. They can also be sampled from via a novel score-based sampling scheme which combats the classical \textit{covariate shift} problem that occurs during sample generation in autoregressive models. Applying this augmentation to autoregressive image models, we obtain 3.32 bits per dimension on the ImageNet 64x64 dataset, and substantially improve the quality of generated samples in terms of the Frechet Inception distance (FID) -- from 37.50 to 12.09 on the CIFAR-10 dataset.  ( 2 min )

We prove identifiability of a broad class of deep latent variable models that (a) have universal approximation capabilities and (b) are the decoders of variational autoencoders that are commonly used in practice. Unlike existing work, our analysis does not require weak supervision, auxiliary information, or conditioning in the latent space. Specifically, we show that for a broad class of generative (i.e. unsupervised) models with universal approximation capabilities, the side information $u$ is not necessary: We prove identifiability of the entire generative model where we do not observe $u$ and only observe the data $x$. The models we consider match autoencoder architectures used in practice that leverage mixture priors in the latent space and ReLU/leaky-ReLU activations in the encoder, such as VaDE and MFC-VAE. Our main result is an identifiability hierarchy that significantly generalizes previous work and exposes how different assumptions lead to different "strengths" of identifiability, and includes certain "vanilla" VAEs with isotropic Gaussian priors as a special case. For example, our weakest result establishes (unsupervised) identifiability up to an affine transformation, and thus partially resolves an open problem regarding model identifiability raised in prior work. These theoretical results are augmented with experiments on both simulated and real data.  ( 3 min )

Contextual bandits are a modern staple tool for active sequential experimentation in the tech industry. They involve online learning algorithms that adaptively (over time) learn policies to map observed contexts $X_t$ to actions $A_t$ in an attempt to maximize stochastic rewards $R_t$. This adaptivity raises interesting but hard statistical inference questions, especially counterfactual ones: for example, it is often of interest to estimate the properties of a hypothetical policy that is different from the logging policy that was used to collect the data -- a problem known as "off-policy evaluation" (OPE). Using modern martingale techniques, we present a comprehensive framework for OPE inference that relax many unnecessary assumptions made in past work, significantly improving on them theoretically and empirically. Our methods remain valid in very general settings, and can be employed while the original experiment is still running (that is, not necessarily post-hoc), when the logging policy may be itself changing (due to learning), and even if the context distributions are drifting over time. More concretely, we derive confidence sequences for various functionals of interest in OPE. These include doubly robust ones for time-varying off-policy mean reward values, but also confidence bands for the entire CDF of the off-policy reward distribution. All of our methods (a) are valid at arbitrary stopping times (b) only make nonparametric assumptions, and (c) do not require known bounds on the maximal importance weights, and (d) adapt to the empirical variance of the reward and weight distributions. In summary, our methods enable anytime-valid off-policy inference using adaptively collected contextual bandit data.  ( 3 min )

Many functions have approximately-known upper and/or lower bounds, potentially aiding the modeling of such functions. In this paper, we introduce Gaussian process models for functions where such bounds are (approximately) known. More specifically, we propose the first use of such bounds to improve Gaussian process (GP) posterior sampling and Bayesian optimization (BO). That is, we transform a GP model satisfying the given bounds, and then sample and weight functions from its posterior. To further exploit these bounds in BO settings, we present bounded entropy search (BES) to select the point gaining the most information about the underlying function, estimated by the GP samples, while satisfying the output constraints. We characterize the sample variance bounds and show that the decision made by BES is explainable. Our proposed approach is conceptually straightforward and can be used as a plug in extension to existing methods for GP posterior sampling and Bayesian optimization.  ( 2 min )

While spectral clustering algorithms for undirected graphs are well established and have been successfully applied to unsupervised machine learning problems ranging from image segmentation and genome sequencing to signal processing and social network analysis, clustering directed graphs remains notoriously difficult. Two of the main challenges are that the eigenvalues and eigenvectors of graph Laplacians associated with directed graphs are in general complex-valued and that there is no universally accepted definition of clusters in directed graphs. We first exploit relationships between the graph Laplacian and transfer operators and in particular between clusters in undirected graphs and metastable sets in stochastic dynamical systems and then use a generalization of the notion of metastability to derive clustering algorithms for directed and time-evolving graphs. The resulting clusters can be interpreted as coherent sets, which play an important role in the analysis of transport and mixing processes in fluid flows.  ( 2 min )

We introduce Interpolation Consistency Training (ICT), a simple and computation efficient algorithm for training Deep Neural Networks in the semi-supervised learning paradigm. ICT encourages the prediction at an interpolation of unlabeled points to be consistent with the interpolation of the predictions at those points. In classification problems, ICT moves the decision boundary to low-density regions of the data distribution. Our experiments show that ICT achieves state-of-the-art performance when applied to standard neural network architectures on the CIFAR-10 and SVHN benchmark datasets. Our theoretical analysis shows that ICT corresponds to a certain type of data-adaptive regularization with unlabeled points which reduces overfitting to labeled points under high confidence values.  ( 2 min )

We propose Active Surrogate Estimators (ASEs), a new method for label-efficient model evaluation. Evaluating model performance is a challenging and important problem when labels are expensive. ASEs address this active testing problem using a surrogate-based estimation approach that interpolates the errors of points with unknown labels, rather than forming a Monte Carlo estimator. ASEs actively learn the underlying surrogate, and we propose a novel acquisition strategy, XWED, that tailors this learning to the final estimation task. We find that ASEs offer greater label-efficiency than the current state-of-the-art when applied to challenging model evaluation problems for deep neural networks.  ( 2 min )

Though learning has become a core component of modern information processing, there is now ample evidence that it can lead to biased, unsafe, and prejudiced systems. The need to impose requirements on learning is therefore paramount, especially as it reaches critical applications in social, industrial, and medical domains. However, the non-convexity of most modern statistical problems is only exacerbated by the introduction of constraints. Whereas good unconstrained solutions can often be learned using empirical risk minimization, even obtaining a model that satisfies statistical constraints can be challenging. All the more so, a good one. In this paper, we overcome this issue by learning in the empirical dual domain, where constrained statistical learning problems become unconstrained and deterministic. We analyze the generalization properties of this approach by bounding the empirical duality gap -- i.e., the difference between our approximate, tractable solution and the solution of the original (non-convex) statistical problem -- and provide a practical constrained learning algorithm. These results establish a constrained counterpart to classical learning theory, enabling the explicit use of constraints in learning. We illustrate this theory and algorithm in rate-constrained learning applications arising in fairness and adversarial robustness.  ( 3 min )

We consider stochastic optimization problems where data is drawn from a Markov chain. Existing methods for this setting crucially rely on knowing the mixing time of the chain, which in real-world applications is usually unknown. We propose the first optimization method that does not require the knowledge of the mixing time, yet obtains the optimal asymptotic convergence rate when applied to convex problems. We further show that our approach can be extended to: (i) finding stationary points in non-convex optimization with Markovian data, and (ii) obtaining better dependence on the mixing time in temporal difference (TD) learning; in both cases, our method is completely oblivious to the mixing time. Our method relies on a novel combination of multi-level Monte Carlo (MLMC) gradient estimation together with an adaptive learning method.  ( 2 min )

Algorithmic reasoning requires capabilities which are most naturally understood through recurrent models of computation, like the Turing machine. However, Transformer models, while lacking recurrence, are able to perform such reasoning using far fewer layers than the number of reasoning steps. This raises the question: what solutions are these shallow and non-recurrent models finding? We investigate this question in the setting of learning automata, discrete dynamical systems naturally suited to recurrent modeling and expressing algorithmic tasks. Our theoretical results completely characterize shortcut solutions, whereby a shallow Transformer with only $o(T)$ layers can exactly replicate the computation of an automaton on an input sequence of length $T$. By representing automata using the algebraic structure of their underlying transformation semigroups, we obtain $O(\log T)$-depth simulators for all automata and $O(1)$-depth simulators for all automata whose associated groups are solvable. Empirically, we perform synthetic experiments by training Transformers to simulate a wide variety of automata, and show that shortcut solutions can be learned via standard training. We further investigate the brittleness of these solutions and propose potential mitigations.  ( 2 min )

Data poisoning considers an adversary that distorts the training set of machine learning algorithms for malicious purposes. In this work, we bring to light one conjecture regarding the fundamentals of data poisoning, which we call the Lethal Dose Conjecture. The conjecture states: If $n$ clean training samples are needed for accurate predictions, then in a size-$N$ training set, only $\Theta(N/n)$ poisoned samples can be tolerated while ensuring accuracy. Theoretically, we verify this conjecture in multiple cases. We also offer a more general perspective of this conjecture through distribution discrimination. Deep Partition Aggregation (DPA) and its extension, Finite Aggregation (FA) are recent approaches for provable defenses against data poisoning, where they predict through the majority vote of many base models trained from different subsets of training set using a given learner. The conjecture implies that both DPA and FA are (asymptotically) optimal -- if we have the most data-efficient learner, they can turn it into one of the most robust defenses against data poisoning. This outlines a practical approach to developing stronger defenses against poisoning via finding data-efficient learners. Empirically, as a proof of concept, we show that by simply using different data augmentations for base learners, we can respectively double and triple the certified robustness of DPA on CIFAR-10 and GTSRB without sacrificing accuracy.  ( 3 min )

We derive normal approximation results for a class of stabilizing functionals of binomial or Poisson point process, that are not necessarily expressible as sums of certain score functions. Our approach is based on a flexible notion of the add-one cost operator, which helps one to deal with the second-order cost operator via suitably appropriate first-order operators. We combine this flexible notion with the theory of strong stabilization to establish our results. We illustrate the applicability of our results by establishing normal approximation results for certain geometric and topological statistics arising frequently in practice. Several existing results also emerge as special cases of our approach.  ( 2 min )

Adversarial robustness has become a central goal in deep learning, both in the theory and the practice. However, successful methods to improve the adversarial robustness (such as adversarial training) greatly hurt generalization performance on the unperturbed data. This could have a major impact on how the adversarial robustness affects real world systems (i.e. many may opt to forego robustness if it can improve accuracy on the unperturbed data). We propose Interpolated Adversarial Training, which employs recently proposed interpolation based training methods in the framework of adversarial training. On CIFAR-10, adversarial training increases the standard test error (when there is no adversary) from 4.43% to 12.32%, whereas with our Interpolated adversarial training we retain the adversarial robustness while achieving a standard test error of only 6.45%. With our technique, the relative increase in the standard error for the robust model is reduced from 178.1% to just 45.5%. Moreover, we provide mathematical analysis of Interpolated Adversarial Training to confirm its efficiencies and demonstrate its advantages in terms of robustness and generalization.

Approximate Nearest Neighbor Search (ANNS) in high dimensional spaces is crucial for many real-life applications (e.g., e-commerce, web, multimedia, etc.) dealing with an abundance of data. This paper proposes an end-to-end learning framework that couples the partitioning (one critical step of ANNS) and learning-to-search steps using a custom loss function. A key advantage of our proposed solution is that it does not require any expensive pre-processing of the dataset, which is one of the critical limitations of the state-of-the-art approach. We achieve the above edge by formulating a multi-objective custom loss function that does not need ground truth labels to quantify the quality of a given data-space partition, making it entirely unsupervised. We also propose an ensembling technique by adding varying input weights to the loss function to train an ensemble of models to enhance the search quality. On several standard benchmarks for ANNS, we show that our method beats the state-of-the-art space partitioning method and the ubiquitous K-means clustering method while using fewer parameters and shorter offline training times. We also show that incorporating our space-partitioning strategy into state-of-the-art ANNS techniques such as ScaNN can improve their performance significantly. Finally, we present our unsupervised partitioning approach as a promising alternative to many widely used clustering methods, such as K-means clustering and DBSCAN.

We present Sequential Neural Variational Inference (SNVI), an approach to perform Bayesian inference in models with intractable likelihoods. SNVI combines likelihood-estimation (or likelihood-ratio-estimation) with variational inference to achieve a scalable simulation-based inference approach. SNVI maintains the flexibility of likelihood(-ratio) estimation to allow arbitrary proposals for simulations, while simultaneously providing a functional estimate of the posterior distribution without requiring MCMC sampling. We present several variants of SNVI and demonstrate that they are substantially more computationally efficient than previous algorithms, without loss of accuracy on benchmark tasks. We apply SNVI to a neuroscience model of the pyloric network in the crab and demonstrate that it can infer the posterior distribution with one order of magnitude fewer simulations than previously reported. SNVI vastly reduces the computational cost of simulation-based inference while maintaining accuracy and flexibility, making it possible to tackle problems that were previously inaccessible.

We study a sequential decision problem where the learner faces a sequence of $K$-armed bandit tasks. The task boundaries might be known (the bandit meta-learning setting), or unknown (the non-stationary bandit setting). For a given integer $M\le K$, the learner aims to compete with the best subset of arms of size $M$. We design an algorithm based on a reduction to bandit submodular maximization, and show that, for $T$ rounds comprised of $N$ tasks, in the regime of large number of tasks and small number of optimal arms $M$, its regret in both settings is smaller than the simple baseline of $\tilde{O}(\sqrt{KNT})$ that can be obtained by using standard algorithms designed for non-stationary bandit problems. For the bandit meta-learning problem with fixed task length $\tau$, we show that the regret of the algorithm is bounded as $\tilde{O}(NM\sqrt{M \tau}+N^{2/3}M\tau)$. Under additional assumptions on the identifiability of the optimal arms in each task, we show a bandit meta-learning algorithm with an improved $\tilde{O}(N\sqrt{M \tau}+N^{1/2}\sqrt{M K \tau})$ regret.

This paper generalizes regularized regression problems in a hyper-reproducing kernel Hilbert space (hyper-RKHS), illustrates its utility for kernel learning and out-of-sample extensions, and proves asymptotic convergence results for the introduced regression models in an approximation theory view. Algorithmically, we consider two regularized regression models with bivariate forms in this space, including kernel ridge regression (KRR) and support vector regression (SVR) endowed with hyper-RKHS, and further combine divide-and-conquer with Nystr\"{o}m approximation for scalability in large sample cases. This framework is general: the underlying kernel is learned from a broad class, and can be positive definite or not, which adapts to various requirements in kernel learning. Theoretically, we study the convergence behavior of regularized regression algorithms in hyper-RKHS and derive the learning rates, which goes beyond the classical analysis on RKHS due to the non-trivial independence of pairwise samples and the characterisation of hyper-RKHS. Experimentally, results on several benchmarks suggest that the employed framework is able to learn a general kernel function form an arbitrary similarity matrix, and thus achieves a satisfactory performance on classification tasks.

Node embedding is a central topic in graph representation learning. Computational efficiency and scalability can be challenging to any method that requires full-graph operations. We propose sampling approaches to node embedding, with or without explicit modelling of the feature vector, which aim to extract useful information from both the eigenvectors related to the graph Laplacien and the given values associated with the graph.  ( 2 min )

Identifying harmful instances, whose absence in a training dataset improves model performance, is important for building better machine learning models. Although previous studies have succeeded in estimating harmful instances under supervised settings, they cannot be trivially extended to generative adversarial networks (GANs). This is because previous approaches require that (1) the absence of a training instance directly affects the loss value and that (2) the change in the loss directly measures the harmfulness of the instance for the performance of a model. In GAN training, however, neither of the requirements is satisfied. This is because, (1) the generator's loss is not directly affected by the training instances as they are not part of the generator's training steps, and (2) the values of GAN's losses normally do not capture the generative performance of a model. To this end, (1) we propose an influence estimation method that uses the Jacobian of the gradient of the generator's loss with respect to the discriminator's parameters (and vice versa) to trace how the absence of an instance in the discriminator's training affects the generator's parameters, and (2) we propose a novel evaluation scheme, in which we assess harmfulness of each training instance on the basis of how GAN evaluation metric (e.g., inception score) is expect to change due to the removal of the instance. We experimentally verified that our influence estimation method correctly inferred the changes in GAN evaluation metrics. Further, we demonstrated that the removal of the identified harmful instances effectively improved the model's generative performance with respect to various GAN evaluation metrics.  ( 3 min )

In reinforcement learning from human feedback, it is common to optimize against a reward model trained to predict human preferences. Because the reward model is an imperfect proxy, optimizing its value too much can hinder ground truth performance, in accordance with Goodhart's law. This effect has been frequently observed, but not carefully measured due to the expense of collecting human preference data. In this work, we use a synthetic setup in which a fixed "gold-standard" reward model plays the role of humans, providing labels used to train a proxy reward model. We study how the gold reward model score changes as we optimize against the proxy reward model using either reinforcement learning or best-of-$n$ sampling. We find that this relationship follows a different functional form depending on the method of optimization, and that in both cases its coefficients scale smoothly with the number of reward model parameters. We also study the effect on this relationship of the size of the reward model dataset, the number of reward model and policy parameters, and the coefficient of the KL penalty added to the reward in the reinforcement learning setup. We explore the implications of these empirical results for theoretical considerations in AI alignment.  ( 2 min )

Anomaly detection methods identify examples that do not follow the expected behaviour, typically in an unsupervised fashion, by assigning real-valued anomaly scores to the examples based on various heuristics. These scores need to be transformed into actual predictions by thresholding, so that the proportion of examples marked as anomalies equals the expected proportion of anomalies, called contamination factor. Unfortunately, there are no good methods for estimating the contamination factor itself. We address this need from a Bayesian perspective, introducing a method for estimating the posterior distribution of the contamination factor of a given unlabeled dataset. We leverage on outputs of several anomaly detectors as a representation that already captures the basic notion of anomalousness and estimate the contamination using a specific mixture formulation. Empirically on 22 datasets, we show that the estimated distribution is well-calibrated and that setting the threshold using the posterior mean improves the anomaly detectors' performance over several alternative methods. All code is publicly available for full reproducibility.  ( 2 min )

Performance of machine learning models may differ between training and deployment for many reasons. For instance, model performance can change between environments due to changes in data quality, observing a different population than the one in training, or changes in the relationship between labels and features. These manifest as changes to the underlying data generating mechanisms, and thereby result in distribution shifts across environments. Attributing performance changes to specific shifts, such as covariate or concept shifts, is critical for identifying sources of model failures, and for taking mitigating actions that ensure robust models. In this work, we introduce the problem of attributing performance differences between environments to shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game and derive an importance weighting method for computing the value of a coalition (or a set) of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on two synthetic datasets and two real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.  ( 2 min )

Subgraph similarity search, one of the core problems in graph search, concerns whether a target graph approximately contains a query graph. The problem is recently touched by neural methods. However, current neural methods do not consider pruning the target graph, though pruning is critically important in traditional calculations of subgraph similarities. One obstacle to applying pruning in neural methods is {the discrete property of pruning}. In this work, we convert graph pruning to a problem of node relabeling and then relax it to a differentiable problem. Based on this idea, we further design a novel neural network to approximate a type of subgraph distance: the subgraph edit distance (SED). {In particular, we construct the pruning component using a neural structure, and the entire model can be optimized end-to-end.} In the design of the model, we propose an attention mechanism to leverage the information about the query graph and guide the pruning of the target graph. Moreover, we develop a multi-head pruning strategy such that the model can better explore multiple ways of pruning the target graph. The proposed model establishes new state-of-the-art results across seven benchmark datasets. Extensive analysis of the model indicates that the proposed model can reasonably prune the target graph for SED computation. The implementation of our algorithm is released at our Github repo: https://github.com/tufts-ml/Prune4SED.  ( 3 min )

Recently, efforts have been made in the community to design new Graph Neural Networks (GNN), as limitations of Message Passing Neural Networks became more apparent. This led to the appearance of Graph Transformers using global graph features such as Laplacian Eigenmaps. In our paper, we introduce a GNN architecture where the aggregation weights are computed using the long-range correlations of a quantum system. These correlations are generated by translating the graph topology into the interactions of a set of qubits in a quantum computer. This work was inspired by the recent development of quantum processing units which enables the computation of a new family of global graph features that would be otherwise out of reach for classical hardware. We give some theoretical insights about the potential benefits of this approach, and benchmark our algorithm on standard datasets. Although not being adapted to all datasets, our model performs similarly to standard GNN architectures, and paves a promising future for quantum enhanced GNNs.  ( 2 min )

We propose a goodness-of-fit measure for probability densities modelling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalised densities. Existing KSDs require the model to be defined on a fixed-dimension space. As our major contributions, we extend the KSD to the variable dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalised, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.  ( 2 min )

Probabilistic, hierarchically coherent forecasting is a key problem in many practical forecasting applications -- the goal is to obtain coherent probabilistic predictions for a large number of time series arranged in a pre-specified tree hierarchy. In this paper, we present a probabilistic top-down approach to hierarchical forecasting that uses a novel attention-based RNN model to learn the distribution of the proportions according to which each parent prediction is split among its children nodes at any point in time. These probabilistic proportions are then coupled with an independent univariate probabilistic forecasting model for the root time series. The resulting forecasts are naturally coherent, and provide probabilistic predictions over all time series in the hierarchy. We experiment on several public datasets and demonstrate significant improvements up to 27% on most datasets compared to state-of-the-art probabilistic hierarchical models. Finally, we also provide theoretical justification for the superiority of our top-down approach compared to traditional bottom-up modeling.  ( 2 min )

We present CLEAR, a method for learning session-specific causal graphs, in the possible presence of latent confounders, from attention in pre-trained attention-based recommenders. These causal graphs describe user behavior, within the context captured by attention, and can provide a counterfactual explanation for a recommendation. In essence, these causal graphs allow answering "why" questions uniquely for any specific session. Using empirical evaluations we show that, compared to naively using attention weights to explain input-output relations, counterfactual explanations found by CLEAR are shorter and an alternative recommendation is ranked higher in the original top-k recommendations.  ( 2 min )

The combination of machine learning models with physical models is a recent research path to learn robust data representations. In this paper, we introduce p$^3$VAE, a generative model that integrates a perfect physical model which partially explains the true underlying factors of variation in the data. To fully leverage our hybrid design, we propose a semi-supervised optimization procedure and an inference scheme that comes along meaningful uncertainty estimates. We apply p$^3$VAE to the semantic segmentation of high-resolution hyperspectral remote sensing images. Our experiments on a simulated data set demonstrated the benefits of our hybrid model against conventional machine learning models in terms of extrapolation capabilities and interpretability. In particular, we show that p$^3$VAE naturally has high disentanglement capabilities. Our code and data have been made publicly available at https://github.com/Romain3Ch216/p3VAE.  ( 2 min )

For the purpose of explaining multivariate outlyingness, it is shown that the squared Mahalanobis distance of an observation can be decomposed into outlyingness contributions originating from single variables. The decomposition is obtained using the Shapley value, a well-known concept from game theory that became popular in the context of Explainable AI. In addition to outlier explanation, this concept also relates to the recent formulation of cellwise outlyingness, where Shapley values can be employed to obtain variable contributions for outlying observations with respect to their "expected" position given the multivariate data structure. In combination with squared Mahalanobis distances, Shapley values can be calculated at a low numerical cost, making them even more attractive for outlier interpretation. Simulations and real-world data examples demonstrate the usefulness of these concepts.  ( 2 min )

We study reserve price optimization in multi-phase second price auctions, where seller's prior actions affect the bidders' later valuations through a Markov Decision Process (MDP). Compared to the bandit setting in existing works, the setting in ours involves three challenges. First, from the seller's perspective, we need to efficiently explore the environment in the presence of potentially nontruthful bidders who aim to manipulates seller's policy. Second, we want to minimize the seller's revenue regret when the market noise distribution is unknown. Third, the seller's per-step revenue is unknown, nonlinear, and cannot even be directly observed from the environment. We propose a mechanism addressing all three challenges. To address the first challenge, we use a combination of a new technique named "buffer periods" and inspirations from Reinforcement Learning (RL) with low switching cost to limit bidders' surplus from untruthful bidding, thereby incentivizing approximately truthful bidding. The second one is tackled by a novel algorithm that removes the need for pure exploration when the market noise distribution is unknown. The third challenge is resolved by an extension of LSVI-UCB, where we use the auction's underlying structure to control the uncertainty of the revenue function. The three techniques culminate in the $\underline{\rm C}$ontextual-$\underline{\rm L}$SVI-$\underline{\rm U}$CB-$\underline{\rm B}$uffer (CLUB) algorithm which achieves $\tilde{ \mathcal{O}}(H^{5/2}\sqrt{K})$ revenue regret when the market noise is known and $\tilde{ \mathcal{O}}(H^{3}\sqrt{K})$ revenue regret when the noise is unknown with no assumptions on bidders' truthfulness.  ( 3 min )

Computer models are widely used across a range of scientific disciplines to describe various complex physical systems, however to perform full uncertainty quantification we often need to employ emulators. An emulator is a fast statistical construct that mimics the slow to evaluate computer model, and greatly aids the vastly more computationally intensive uncertainty quantification calculations that an important scientific analysis often requires. We examine the problem of emulating computer models that possess multiple, partial discontinuities occurring at known non-linear location. We introduce the TENSE framework, based on carefully designed correlation structures that respect the discontinuities while enabling full exploitation of any smoothness/continuity elsewhere. This leads to a single emulator object that can be updated by all runs simultaneously, and also used for efficient design. This approach avoids having to split the input space into multiple subregions. We apply the TENSE framework to the TNO Challenge II, emulating the OLYMPUS reservoir model, which possess multiple such discontinuities.  ( 2 min )

We revisit the challenging problem of training Gaussian-Bernoulli restricted Boltzmann machines (GRBMs), introducing two innovations. We propose a novel Gibbs-Langevin sampling algorithm that outperforms existing methods like Gibbs sampling. We propose a modified contrastive divergence (CD) algorithm so that one can generate images with GRBMs starting from noise. This enables direct comparison of GRBMs with deep generative models, improving evaluation protocols in the RBM literature. Moreover, we show that modified CD and gradient clipping are enough to robustly train GRBMs with large learning rates, thus removing the necessity of various tricks in the literature. Experiments on Gaussian Mixtures, MNIST, FashionMNIST, and CelebA show GRBMs can generate good samples, despite their single-hidden-layer architecture. Our code is released at: \url{https://github.com/lrjconan/GRBM}.  ( 2 min )

We propose a nonparametric quantile regression method using deep neural networks with a rectified linear unit penalty function to avoid quantile crossing. This penalty function is computationally feasible for enforcing non-crossing constraints in multi-dimensional nonparametric quantile regression. We establish non-asymptotic upper bounds for the excess risk of the proposed nonparametric quantile regression function estimators. Our error bounds achieve optimal minimax rate of convergence for the Holder class, and the prefactors of the error bounds depend polynomially on the dimension of the predictor, instead of exponentially. Based on the proposed non-crossing penalized deep quantile regression, we construct conformal prediction intervals that are fully adaptive to heterogeneity. The proposed prediction interval is shown to have good properties in terms of validity and accuracy under reasonable conditions. We also derive non-asymptotic upper bounds for the difference of the lengths between the proposed non-crossing conformal prediction interval and the theoretically oracle prediction interval. Numerical experiments including simulation studies and a real data example are conducted to demonstrate the effectiveness of the proposed method.  ( 2 min )

Random forests are an ensemble method relevant for many problems, such as regression or classification. They are popular due to their good predictive performance (compared to, e.g., decision trees) requiring only minimal tuning of hyperparameters. They are built via aggregation of multiple regression trees during training and are usually calculated recursively using hard splitting rules. Recently regression forests have been incorporated into the framework of distributional regression, a nowadays popular regression approach aiming at estimating complete conditional distributions rather than relating the mean of an output variable to input features only - as done classically. This article proposes a new type of a distributional regression tree using a multivariate soft split rule. One great advantage of the soft split is that smooth high-dimensional functions can be estimated with only one tree while the complexity of the function is controlled adaptive by information criteria. Moreover, the search for the optimal split variable is obsolete. We show by means of extensive simulation studies that the algorithm has excellent properties and outperforms various benchmark methods, especially in the presence of complex non-linear feature interactions. Finally, we illustrate the usefulness of our approach with an example on probabilistic forecasts for the Sun's activity.  ( 2 min )

Sharpness-aware minimization (SAM) aims to improve the generalisation of gradient-based learning by seeking out flat minima. In this work, we establish connections between SAM and Mean-Field Variational Inference (MFVI) of neural network parameters. We show that both these methods have interpretations as optimizing notions of flatness, and when using the reparametrisation trick, they both boil down to calculating the gradient at a perturbed version of the current mean parameter. This thinking motivates our study of algorithms that combine or interpolate between SAM and MFVI. We evaluate the proposed variational algorithms on several benchmark datasets, and compare their performance to variants of SAM. Taking a broader perspective, our work suggests that SAM-like updates can be used as a drop-in replacement for the reparametrisation trick.  ( 2 min )

Generalized sliced Wasserstein distance is a variant of sliced Wasserstein distance that exploits the power of non-linear projection through a given defining function to better capture the complex structures of the probability distributions. Similar to sliced Wasserstein distance, generalized sliced Wasserstein is defined as an expectation over random projections which can be approximated by the Monte Carlo method. However, the complexity of that approximation can be expensive in high-dimensional settings. To that end, we propose to form deterministic and fast approximations of the generalized sliced Wasserstein distance by using the concentration of random projections when the defining functions are polynomial function, circular function, and neural network type function. Our approximations hinge upon an important result that one-dimensional projections of a high-dimensional random vector are approximately Gaussian.  ( 2 min )

Optimizing expensive-to-evaluate black-box functions of discrete (and potentially continuous) design parameters is a ubiquitous problem in scientific and engineering applications. Bayesian optimization (BO) is a popular, sample-efficient method that leverages a probabilistic surrogate model and an acquisition function (AF) to select promising designs to evaluate. However, maximizing the AF over mixed or high-cardinality discrete search spaces is challenging standard gradient-based methods cannot be used directly or evaluating the AF at every point in the search space would be computationally prohibitive. To address this issue, we propose using probabilistic reparameterization (PR). Instead of directly optimizing the AF over the search space containing discrete parameters, we instead maximize the expectation of the AF over a probability distribution defined by continuous parameters. We prove that under suitable reparameterizations, the BO policy that maximizes the probabilistic objective is the same as that which maximizes the AF, and therefore, PR enjoys the same regret bounds as the original BO policy using the underlying AF. Moreover, our approach provably converges to a stationary point of the probabilistic objective under gradient ascent using scalable, unbiased estimators of both the probabilistic objective and its gradient. Therefore, as the number of starting points and gradient steps increase, our approach will recover of a maximizer of the AF (an often-neglected requisite for commonly used BO regret bounds). We validate our approach empirically and demonstrate state-of-the-art optimization performance on a wide range of real-world applications. PR is complementary to (and benefits) recent work and naturally generalizes to settings with multiple objectives and black-box constraints.  ( 3 min )

There are some 1.8 billion Muslims, but only 16% or so of them speak Arabic, the language of the Quran. This is in part due to the fact that many Muslims struggle to find qualified instructors to give them feedback on their Quran recitation. Enter today’s guest and his company Tarteel, a member of the Read article > The post How Tarteel Uses AI to Help Arabic Learners Perfect Their Pronunciation appeared first on NVIDIA Blog.  ( 4 min )

I'm evaluating different architectures for audio classification and I'm a bit lost. I found a couple of survey papers but those are 2 years old and I'm looking for something newer. Have there been any major advances in this field? submitted by /u/the_javi_himself [link] [comments]  ( 123 min )

Hello, Anyone tried training Donut (https://arxiv.org/abs/2111.15664) on SROIE dataset ? I’m curious of how well it can perform. Also for those specialized in document understanding, I saw that in papers like layoutLM they report metrics higher than 0.95 for information extraction are those the exact match metrics or the classification metrics ? Thanks ! submitted by /u/Meddhouib10 [link] [comments]  ( 124 min )

We don't get enough “bad” samples from our customers, because it’s almost impossible and challenging to artificially capture defects (bad samples) in production. Without bad samples, we cannot create or optimize algorithms. Any suggestions? submitted by /u/alovna88 [link] [comments]  ( 123 min )

I'm wondering if it's possible to translate a trained Isolation Forest outlier detection model into written rules (think if-else statements). This would be beneficial for model explainability. I think it's possible since it's just an ensemble model of decision trees. You would just get the rules from the top splits that determine which samples are outliers, depending on the contamination threshold. I assume some rules might overlap, so that some rules become reduntant. Am I wrong? link to isolation forest sklearn: https://scikit-learn.org/stable/modules/generated/sklearn.ensemble.IsolationForest.html submitted by /u/mrwafflezzz [link] [comments]  ( 125 min )

I’m reading through the literature for robustness (and adversarial attacks/defences) and all case studies are for classification problems or more rarely applications for NLP. I was wondering if there was a reason for this or if there was genuine gap in literature, which I am suspecting is unlikely. By regression I mean applications like using a DNN as a universal approximator for solving physics problems. submitted by /u/Evening-Apartment-70 [link] [comments]  ( 123 min )

Hi, my name is Lex Fridman. I host a podcast. I'm talking to Andrej Karpathy on it soon. To me, Andrej is one of the best researchers and educators in the history of the machine learning field. If you have questions/topic suggestions you'd like us to discuss, including technical and philosophical ones, please let me know. submitted by /u/lexfridman [link] [comments]  ( 144 min )

Fillout is the first AI-powered form builder. Just describe your form and our AI will instantly generate a form for you to customize. We're live on Product hunt and would appreciate your support and feedback! https://www.producthunt.com/posts/fillout-com Check out the demo video on that post to see how the AI works and let me know if you have any questions - I'll be around :) submitted by /u/dominicwhyte42 [link] [comments]  ( 124 min )

Blog post This uses a nice dataset by /u/gwern, and trains a decent latent-diffusion-based model from scratch, with several orders of magnitude less compute than Stable Diffusion (although anime-only, but it is better than Stable Diffusion on anime pictures). FWIW, a self-hosted demo (I tried to restrict it to produce only safe samples) It runs via Gradio proxy, so it is flaky and unstable at times, but works after some retries. I'll keep it running for the next several days. submitted by /u/enryu42 [link] [comments]  ( 124 min )

I thought this comment in a different thread was worth highlighting: https://www.reddit.com/r/MachineLearning/comments/y7r4i2/comment/iswsr45/ MIT is releasing all the slides teaching their new efficientML initiative if you want a more gentle introduction: https://efficientml.ai/ submitted by /u/That_Violinist_18 [link] [comments]  ( 122 min )

I am trying to solve a problem where a given input vector x must be transformed into an optimal output vector y. Both vectors are of the same length. The optimal transforming function y = F(x) is unknown. I can however measure how well a given output y’ matches some desired properties given x. More formally, there is a known and differentiable loss function L = G(x, y’). This loss function is different from usual loss functions which are used in neural networks (e.g. MSE) in the sense that it does not require any labels to compute the loss. It can compute the loss and its derivative only knowing the input x and the output y’ of the neural network. Further, I have many different input vectors X = {x_1, x_1, …, x_n} and they all have their corresponding optimal output vectors Y = {y_1, y_2,…  ( 127 min )

Hello, I am just starting new project on time series forecasting and consider which library might be the best to use. In previous project I have been using sktime, but recently I have found modeltime and darts also. ​ So my question is: Have you use any of this library (maybe more then one) and could you guys tell me why you like them and why not? Thanks in advance for all answers. submitted by /u/popcornn1 [link] [comments]  ( 125 min )

Text-Based Real Image Editing Code: https://github.com/ShivamShrirao/diffusers/tree/main/examples/imagic Colab: https://colab.research.google.com/github/ShivamShrirao/diffusers/blob/main/examples/imagic/Imagic_Stable_Diffusion.ipynb Still need to play around and tune the parameters a bit, may not work as is on every subject. Hopefully everyone can try it out now. Input Image A photo of Barack Obama smiling with a big grin. submitted by /u/0x00groot [link] [comments]  ( 124 min )

About us We are looking for two Interns (6 months) to work with our Research Group. It's a paid internship. Our mission is to help different life sciences industries and hospitals use machine learning methods to conduct faster and safer clinical development and regulatory programs. In addition, address a diverse set of research problems in the clinical and Biomedical domain. Our overarching goal is to use machine learning to improve every aspect of the scientific effort. We work with many different clients such as Gilead, Pfizer etc. and data types, including very large clinical trails data, Graph data, NLP records and tabular data. We have excellent computational resources, both of our own and shared within the company. As a machine learning research group, we develop new methods and …  ( 124 min )

Training a machine-learning model on an intelligent edge device allows it to adapt to new data and make better predictions. For instance, training a model on a smart keyboard could enable the keyboard to continually learn from the user's writing. However, the training process requires so much memory that it is typically done using powerful computers at a data center, before the model is deployed on a device. This is more costly and raises privacy issues since user data must be sent to a central server. To address this problem, researchers at MIT and the MIT-IBM Watson AI Lab developed a new technique that enables on-device training using less than a quarter of a megabyte of memory (256KB) . They have released a paper on how they have acheived On-Device Training Under 256KB Memory. They also have They tested their framework by training a computer vision model to detect people in images. After only 10 minutes of training, it learned to complete the task successfully. Their method was able to train a model more than 20 times faster than other approaches. I am interested to see if someone takes these approaches described in the paper to reduce memory footprint of large machine learning models thereby reducing hardware requirements and make these models more accessible I have made a video on the research paper. Do checkout the video https://youtu.be/sQFeh9X2L3k submitted by /u/Sea-Photo5230 [link] [comments]  ( 124 min )

in autoimmune disease alot of people have food sensitivities with alot of variance as to what they are. I wanted to make an app that helps identify potential food triggers from food journaling and release it for free and to have it as a portfolio project. What algorithm would i need where the input would be food journal info and symptom severity and the output would be potential correlations. This would be clustering correct? if so can someone point out a library that is good for this. submitted by /u/happyhornetsfan [link] [comments]  ( 126 min )

https://doordash.engineering/2022/10/18/augmenting-fuzzy-matching-with-human-review-to-maximize-precision-and-recall/ I recently solved a business problem at DoorDash: we needed a way to onboard new advertisers (brands that sell products at convenience/grocery stores) at scale, without having to manually identify all their products that are available on DoorDash. We used a fuzzy-matching classifier with a human in the loop. The part I find the most interesting is how we were able to take an out-of-the-box fuzzy matching algorithm and – with relatively little technical effort – tweak it to improve precision and recall. See table toward the end of the piece. Comment away, either here or on the post itself! submitted by /u/chikinn [link] [comments]  ( 125 min )

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TL;DR: I am about to be employed part-time at a company that requires me to write enticing blurbs about articles I source for CEOs to post on their LinkedIn page. I am required to manage around 15 clients, who require 9 blurbs a week each. After some simple math, that equates to around 108-162 hours a week; the company limits my hours to 25 a week. I am looking to utilize AI to create an efficient process that makes this requirement actually achievable. Do you have any advice? Hello all! A little about myself: I am a 22-year-old who recently reenrolled in college after a two-year break due to the COVID pandemic. As a means of paying for rent, food, and other utilities during this time, I've begun to search for remote part-time positions and am in the midst of the interview process with o…  ( 128 min )

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I've seen UiPath come up quite a bit but I'm wondering what else is out there. Any companies you guys know of that are reliable and affordable? submitted by /u/nattescott [link] [comments]  ( 119 min )

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‘Pathfinding’—or planning a route to a destination that bypasses obstacles—is a great problem in AI recently. In this regard, the A* search algorithm has garnered much attention for its ability to solve path complexities. However, according to Stack Overflow, there are situations in which A* may not be the best algorithm to solve a problem with. Although, there are a number of parameters to assess what constitutes the best algorithm for finding a solution. ​ https://analyticsindiamag.com/is-a-better-than-previous-path-finding-algorithms/ submitted by /u/analyticsindiam [link] [comments]  ( 117 min )

A new collaborative effort between MBARI and other research institutions is leveraging the power of artificial intelligence and machine learning to accelerate efforts to study the ocean. In order to manage impacts from climate change and other threats, researchers urgently need to learn more about the ocean's inhabitants, ecosystems, and processes. As scientists and engineers develop advanced robotics that can visualize marine life and environments to monitor changes in the ocean's health, they face a fundamental problem: The collection of images, video, and other visual data vastly exceeds researchers' capacity for analysis. FathomNet is an open-source image database that uses state-of-the-art data processing algorithms to help process the backlog of visual data. Using artificial intell…  ( 146 min )

Hello, Do you know a tool to create alternative images based on a series of images? Thanks submitted by /u/lxdprod [link] [comments]  ( 118 min )

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their site - https://drawtt.com/ ​ and their twitter - https://twitter.com/DrawThisTweet which else you can reccomend ? submitted by /u/Ox0K3n [link] [comments]  ( 115 min )

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Businesses can lose billions of dollars each year due to malicious users and fraudulent transactions. As more and more business operations move online, fraud and abuses in online systems are also on the rise. To combat online fraud, many businesses have been using rule-based fraud detection systems. However, traditional fraud detection systems rely on a […]  ( 12 min )

R is a popular analytic programming language used by data scientists and analysts to perform data processing, conduct statistical analyses, create data visualizations, and build machine learning (ML) models. RStudio, the integrated development environment for R, provides open-source tools and enterprise-ready professional software for teams to develop and share their work across their organization Building, […]  ( 9 min )

As machine learning (ML) goes mainstream and gains wider adoption, ML-powered applications are becoming increasingly common to solve a range of complex business problems. The solution to these complex business problems often requires using multiple ML models. These models can be sequentially combined to perform various tasks, such as preprocessing, data transformation, model selection, inference […]  ( 11 min )

Posted by Manoj Kumar, Research Engineer, and Ekin Dogus Cubuk, Research Scientist, Google Research The task of determining the similarity between images is an open problem in computer vision and is crucial for evaluating the realism of machine-generated images. Though there are a number of straightforward methods of estimating image similarity (e.g., low-level metrics that measure pixel differences, such as FSIM and SSIM), in many cases, the measured similarity differences do not match the differences perceived by a person. However, more recent work has demonstrated that intermediate representations of neural network classifiers, such as AlexNet, VGG and SqueezeNet trained on ImageNet, exhibit perceptual similarity as an emergent property. That is, Euclidean distances between encoded rep…  ( 26 min )

Hello everyone! What do you guys think are the most promising approaches to tune hyperparameters for training environments using standard algorithms like PPO, SAC or similar? Many papers that I come across still conduct trial-and-error or run grid searches. As far as I know CleanRL implements TPE. Also, I'm wondering if F-Race is considerable. submitted by /u/LilHairdy [link] [comments]  ( 118 min )

Gaussian policy is of a prevalent use of DRL, due to its simplicity and efficiency. However, since in either simulations or most of real applications, the action space is bounded in a finite interval, it reminds us to constrain the standard deviation as to not trigger extreme numeric when combined with neural network. For instance, PPO learns a global std with a safe initial value (normally 1); SAC outputs it with a fully connected layer but clamps its value in an tolerant range. If we don't consider other distributions with finite support e.g. Beta policy, direct way to control the instability is to try a safer mapping from the final layer's output to a real value with a designed function. In practice, it mostly learns a log std and then revert it back by an exponential function. A more practical way is to use the Softplus function, which is less aggressive than the exponential function. Are there any other methods, new mappings, or techniques to achieve better numerical stability? It looks like this problem is not concerned much, however, it can be sensitive to the network architecture design. Without the Tanh activation function of the pre-layers, PPO can not work. Without enforcing action bound, SAC can not work with ReLU activation. I expect any ideas on this problem, many appreciates. submitted by /u/OutOfCharm [link] [comments]  ( 118 min )

An increasingly prevalent problem for intelligent technologies is text safety, as uncontrolled systems may generate recommendations to their users that lead to injury or life-threatening consequences. However, the degree of explicitness of a generated statement that can cause physical harm varies. In this paper, we distinguish types of text that can lead to physical harm and establish one particularly underexplored category: covertly unsafe text. Then, we further break down this category with respect to the system's information and discuss solutions to mitigate the generation of text in each of these subcategories. Ultimately, our work defines the problem of covertly unsafe language that causes physical harm and argues that this subtle yet dangerous issue needs to be prioritized by stakeholders and regulators. We highlight mitigation strategies to inspire future researchers to tackle this challenging problem and help improve safety within smart systems.  ( 2 min )

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to predict the causal structure from observational or interventional data. This allows us to bypass both the search over graphs and the hand-engineering of suitable score functions. Instead, our inference model acquires domain-specific inductive biases for causal discovery solely from data generated by a simulator. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.  ( 2 min )

Predictions about people, such as their expected educational achievement or their credit risk, can be performative and shape the outcome that they aim to predict. Understanding the causal effect of these predictions on the eventual outcomes is crucial for foreseeing the implications of future predictive models and selecting which models to deploy. However, this causal estimation task poses unique challenges: model predictions are usually deterministic functions of input features and highly correlated with outcomes. This can make the causal effects of predictions on outcomes impossible to disentangle from the direct effect of the covariates. We study this problem through the lens of causal identifiability, and despite the hardness of this problem in full generality, we highlight three natural scenarios where the causal relationship between covariates, predictions and outcomes can be identified from observational data: randomization in predictions, overparameterization of the predictive model deployed during data collection, and discrete prediction outputs. Empirically we show that given our identifiability conditions hold, standard variants of supervised learning that predict from predictions by treating the prediction as an input feature can indeed find transferable functional relationships that allow for conclusions about newly deployed predictive models. These positive results fundamentally rely on model predictions being recorded during data collection, bringing forward the importance of rethinking standard data collection practices to enable progress towards a better understanding of social outcomes and performative feedback loops.  ( 3 min )

Existing deep learning-enabled semantic communication systems often rely on shared background knowledge between the transmitter and receiver that includes empirical data and their associated semantic information. In practice, the semantic information is defined by the pragmatic task of the receiver and cannot be known to the transmitter. The actual observable data at the transmitter can also have non-identical distribution with the empirical data in the shared background knowledge library. To address these practical issues, this paper proposes a new neural network-based semantic communication system for image transmission, where the task is unaware at the transmitter and the data environment is dynamic. The system consists of two main parts, namely the semantic coding (SC) network and the data adaptation (DA) network. The SC network learns how to extract and transmit the semantic information using a receiver-leading training process. By using the domain adaptation technique from transfer learning, the DA network learns how to convert the data observed into a similar form of the empirical data that the SC network can process without retraining. Numerical experiments show that the proposed method can be adaptive to observable datasets while keeping high performance in terms of both data recovery and task execution.  ( 3 min )

There is growing interest in concept-based models (CBMs) that combine high-performance and interpretability by acquiring and reasoning with a vocabulary of high-level concepts. A key requirement is that the concepts be interpretable. Existing CBMs tackle this desideratum using a variety of heuristics based on unclear notions of interpretability, and fail to acquire concepts with the intended semantics. We address this by providing a clear definition of interpretability in terms of alignment between the model's representation and an underlying data generation process, and introduce GlanceNets, a new CBM that exploits techniques from disentangled representation learning and open-set recognition to achieve alignment, thus improving the interpretability of the learned concepts. We show that GlanceNets, paired with concept-level supervision, achieve better alignment than state-of-the-art approaches while preventing spurious information from unintendedly leaking into the learned concepts.  ( 2 min )

Data augmentation is essential to achieve state-of-the-art performance in many deep learning applications. However, the most effective augmentation techniques become computationally prohibitive for even medium-sized datasets. To address this, we propose a rigorous technique to select subsets of data points that when augmented, closely capture the training dynamics of full data augmentation. We first show that data augmentation, modeled as additive perturbations, improves learning and generalization by relatively enlarging and perturbing the smaller singular values of the network Jacobian, while preserving its prominent directions. This prevents overfitting and enhances learning the harder to learn information. Then, we propose a framework to iteratively extract small subsets of training data that when augmented, closely capture the alignment of the fully augmented Jacobian with labels/residuals. We prove that stochastic gradient descent applied to the augmented subsets found by our approach has similar training dynamics to that of fully augmented data. Our experiments demonstrate that our method achieves 6.3x speedup on CIFAR10 and 2.2x speedup on SVHN, and outperforms the baselines by up to 10% across various subset sizes. Similarly, on TinyImageNet and ImageNet, our method beats the baselines by up to 8%, while achieving up to 3.3x speedup across various subset sizes. Finally, training on and augmenting 50% subsets using our method on a version of CIFAR10 corrupted with label noise even outperforms using the full dataset.  ( 3 min )

In this paper, we establish a neural network to approximate functionals, which are maps from infinite dimensional spaces to finite dimensional spaces. The approximation error of the neural network is $O(1/\sqrt{m})$ where $m$ is the size of networks, which overcomes the curse of dimensionality. The key idea of the approximation is to define a Barron spectral space of functionals.

In this paper, we leverage low-level compiler intermediate representations (IR) to improve code translation. Traditional transpilers rely on syntactic information and handcrafted rules, which limits their applicability and produces unnatural-looking code. Applying neural machine translation (NMT) approaches to code has successfully broadened the set of programs on which one can get a natural-looking translation. However, they treat the code as sequences of text tokens, and still do not differentiate well enough between similar pieces of code which have different semantics in different languages. The consequence is low quality translation, reducing the practicality of NMT, and stressing the need for an approach significantly increasing its accuracy. Here we propose to augment code translation with IRs, specifically LLVM IR, with results on the C++, Java, Rust, and Go languages. Our method improves upon the state of the art for unsupervised code translation, increasing the number of correct translations by 11% on average, and up to 79% for the Java -> Rust pair with greedy decoding. With beam search, it increases the number of correct translations by 5.5% in average. We extend previous test sets for code translation, by adding hundreds of Go and Rust functions. Additionally, we train models with high performance on the problem of IR decompilation, generating programming source code from IR, and study using IRs as intermediary pivot for translation.

While transferring a pretrained language model, common approaches conventionally attach their task-specific classifiers to the top layer and adapt all the pretrained layers. We investigate whether one could make a task-specific selection on which subset of the layers to adapt and where to place the classifier. The goal is to reduce the computation cost of transfer learning methods (e.g. fine-tuning or adapter-tuning) without sacrificing its performance. We propose to select layers based on the variability of their hidden states given a task-specific corpus. We say a layer is already ``well-specialized'' in a task if the within-class variability of its hidden states is low relative to the between-class variability. Our variability metric is cheap to compute and doesn't need any training or hyperparameter tuning. It is robust to data imbalance and data scarcity. Extensive experiments on the GLUE benchmark demonstrate that selecting layers based on our metric can yield significantly stronger performance than using the same number of top layers and often match the performance of fine-tuning or adapter-tuning the entire language model.

The ability for an educational game designer to understand their audience's play styles and resulting experience is an essential tool for improving their game's design. As a game is subjected to large-scale player testing, the designers require inexpensive, automated methods for categorizing patterns of player-game interactions. In this paper we present a simple, reusable process using best practices for data clustering, feasible for use within a small educational game studio. We utilize the method to analyze a real-time strategy game, processing game telemetry data to determine categories of players based on their in-game actions, the feedback they received, and their progress through the game. An interpretive analysis of these clusters results in actionable insights for the game's designers.

Safe reinforcement learning is extremely challenging--not only must the agent explore an unknown environment, it must do so while ensuring no safety constraint violations. We formulate this safe reinforcement learning (RL) problem using the framework of a finite-horizon Constrained Markov Decision Process (CMDP) with an unknown transition probability function, where we model the safety requirements as constraints on the expected cumulative costs that must be satisfied during all episodes of learning. We propose a model-based safe RL algorithm that we call Doubly Optimistic and Pessimistic Exploration (DOPE), and show that it achieves an objective regret $\tilde{O}(|\mathcal{S}|\sqrt{|\mathcal{A}| K})$ without violating the safety constraints during learning, where $|\mathcal{S}|$ is the number of states, $|\mathcal{A}|$ is the number of actions, and $K$ is the number of learning episodes. Our key idea is to combine a reward bonus for exploration (optimism) with a conservative constraint (pessimism), in addition to the standard optimistic model-based exploration. DOPE is not only able to improve the objective regret bound, but also shows a significant empirical performance improvement as compared to earlier optimism-pessimism approaches.

Graph convolutional neural networks (GCNs) have emerged as a key technology in various application domains where the input data is relational. A unique property of GCNs is that its two primary execution stages, aggregation and combination, exhibit drastically different dataflows. Consequently, prior GCN accelerators tackle this research space by casting the aggregation and combination stages as a series of sparse-dense matrix multiplication. However, prior work frequently suffers from inefficient data movements, leaving significant performance left on the table. We present GROW, a GCN accelerator based on Gustavson's algorithm to architect a row-wise product based sparse-dense GEMM accelerator. GROW co-designs the software/hardware that strikes a balance in locality and parallelism for GCNs, achieving significant energy-efficiency improvements vs. state-of-the-art GCN accelerators.

Offline reinforcement learning (RL) aims at learning policies from previously collected static trajectory data without interacting with the real environment. Recent works provide a novel perspective by viewing offline RL as a generic sequence generation problem, adopting sequence models such as Transformer architecture to model distributions over trajectories, and repurposing beam search as a planning algorithm. However, the training datasets utilized in general offline RL tasks are quite limited and often suffer from insufficient distribution coverage, which could be harmful to training sequence generation models yet has not drawn enough attention in the previous works. In this paper, we propose a novel algorithm named Bootstrapped Transformer, which incorporates the idea of bootstrapping and leverages the learned model to self-generate more offline data to further boost the sequence model training. We conduct extensive experiments on two offline RL benchmarks and demonstrate that our model can largely remedy the existing offline RL training limitations and beat other strong baseline methods. We also analyze the generated pseudo data and the revealed characteristics may shed some light on offline RL training. The codes are available at https://seqml.github.io/bootorl.

In many real world problems, the training data and test data have different distributions. This situation is commonly referred as a dataset shift. The most common settings for dataset shift often considered in the literature are {\em covariate shift } and {\em target shift}. Importance weighting (IW) correction is a universal method for correcting the bias present in learning scenarios under dataset shift. The question one may ask is: does IW correction work equally well for different dataset shift scenarios? By investigating the generalization properties of the weighted kernel ridge regression (W-KRR) under covariate and target shifts we show that the answer is negative, except when IW is bounded and the model is wellspecified. In the latter cases, a minimax optimal rates are achieved by importance weighted kernel ridge regression (IW-KRR) in both, covariate and target shift scenarios. Slightly relaxing the boundedness condition of the IW we show that the IW-KRR still achieves the optimal rates under target shift while leading to slower rates for covariate shift. In the case of the model misspecification we show that the performance of the W-KRR under covariate shift could be substantially increased by designing an alternative reweighting function. The distinction between misspecified and wellspecified scenarios does not seem to be crucial in the learning problems under target shift.

Convolutional neural network inference on video input is computationally expensive and has high memory bandwidth requirements. Recently, researchers managed to reduce the cost of processing upcoming frames by only processing pixels that changed significantly. Using sparse convolutions, the sparsity of frame differences can be translated to speedups on current inference devices. However, previous work was relying on static cameras. Moving cameras add new challenges in how to fuse newly unveiled image regions with already processed regions efficiently to minimize the update rate - without increasing memory overhead and without knowing the camera extrinsics of future frames. In this work, we propose MotionDeltaCNN, a CNN framework that supports moving cameras and variable resolution input. We propose a spherical buffer which enables seamless fusion of newly unveiled regions and previously processed regions - without increasing the memory footprint. Our evaluations show that we outperform previous work significantly by explicitly adding support for moving camera input.

Min-max optimization problems involving nonconvex-nonconcave objectives have found important applications in adversarial training and other multi-agent learning settings. Yet, no known gradient descent-based method is guaranteed to converge to (even local notions of) min-max equilibrium in the nonconvex-nonconcave setting. For all known methods, there exist relatively simple objectives for which they cycle or exhibit other undesirable behavior different from converging to a point, let alone to some game-theoretically meaningful one~\cite{flokas2019poincare,hsieh2021limits}. The only known convergence guarantees hold under the strong assumption that the initialization is very close to a local min-max equilibrium~\cite{wang2019solving}. Moreover, the afore-described challenges are not just theoretical curiosities. All known methods are unstable in practice, even in simple settings. We propose the first method that is guaranteed to converge to a local min-max equilibrium for smooth nonconvex-nonconcave objectives. Our method is second-order and provably escapes limit cycles as long as it is initialized at an easy-to-find initial point. Both the definition of our method and its convergence analysis are motivated by the topological nature of the problem. In particular, our method is not designed to decrease some potential function, such as the distance of its iterate from the set of local min-max equilibria or the projected gradient of the objective, but is designed to satisfy a topological property that guarantees the avoidance of cycles and implies its convergence.

We study federated learning (FL)--especially cross-silo FL--with non-convex loss functions and data from people who do not trust the server or other silos. In this setting, each silo (e.g. hospital) must protect the privacy of each person's data (e.g. patient's medical record), even if the server or other silos act as adversarial eavesdroppers. To that end, we consider inter-silo record-level (ISRL) differential privacy (DP), which requires silo $i$'s communications to satisfy record/item-level DP. We give novel ISRL-DP algorithms for FL with heterogeneous (non-i.i.d.) silo data and two classes of Lipschitz continuous loss functions: First, we consider losses satisfying the Proximal Polyak-Lojasiewicz (PL) inequality, which is an extension of the classical PL condition to the constrained setting. Prior works only considered unconstrained private optimization with Lipschitz PL loss, which rules out most interesting PL losses such as strongly convex problems and linear/logistic regression. However, by analyzing the proximal PL scenario, we permit these losses and others (e.g. LASSO, some neural nets) which are Lipschitz on a restricted parameter domain. Our algorithms nearly attain the optimal strongly convex, homogeneous (i.i.d.) rate for ISRL-DP FL without assuming convexity or i.i.d. data. Second, we give the first private algorithms for non-convex non-smooth loss functions. Our utility bounds even improve on the state-of-the-art bounds for smooth losses. We complement our upper bounds with lower bounds. Additionally, we provide shuffle DP (SDP) algorithms that improve over the state-of-the-art central DP algorithms under more practical trust assumptions. Numerical experiments show that our algorithm has better accuracy than baselines for most privacy levels.

Early diagnosis of retinal diseases such as diabetic retinopathy has had the attention of many researchers. Deep learning through the introduction of convolutional neural networks has become a prominent solution for image-related tasks such as classification and segmentation. Most tasks in image classification are handled by deep CNNs pretrained and evaluated on imagenet dataset. However, these models do not always translate to the best result on other datasets. Devising a neural network manually from scratch based on heuristics may not lead to an optimal model as there are numerous hyperparameters in play. In this paper, we use two nature-inspired swarm algorithms: particle swarm optimization (PSO) and ant colony optimization (ACO) to obtain TDCN models to perform classification of fundus images into severity classes. The power of swarm algorithms is used to search for various combinations of convolutional, pooling, and normalization layers to provide the best model for the task. It is observed that TDCN-PSO outperforms imagenet models and existing literature, while TDCN-ACO achieves faster architecture search. The best TDCN model achieves an accuracy of 90.3%, AUC ROC of 0.956, and a Cohen kappa score of 0.967. The results were compared with the previous studies to show that the proposed TDCN models exhibit superior performance.

We study the problem of PAC learning a single neuron in the presence of Massart noise. Specifically, for a known activation function $f: \mathbb{R} \to \mathbb{R}$, the learner is given access to labeled examples $(\mathbf{x}, y) \in \mathbb{R}^d \times \mathbb{R}$, where the marginal distribution of $\mathbf{x}$ is arbitrary and the corresponding label $y$ is a Massart corruption of $f(\langle \mathbf{w}, \mathbf{x} \rangle)$. The goal of the learner is to output a hypothesis $h: \mathbb{R}^d \to \mathbb{R}$ with small squared loss. For a range of activation functions, including ReLUs, we establish super-polynomial Statistical Query (SQ) lower bounds for this learning problem. In more detail, we prove that no efficient SQ algorithm can approximate the optimal error within any constant factor. Our main technical contribution is a novel SQ-hard construction for learning $\{ \pm 1\}$-weight Massart halfspaces on the Boolean hypercube that is interesting on its own right.

Reinforcement learning provides an automated framework for learning behaviors from high-level reward specifications, but in practice the choice of reward function can be crucial for good results -- while in principle the reward only needs to specify what the task is, in reality practitioners often need to design more detailed rewards that provide the agent with some hints about how the task should be completed. The idea of this type of ``reward-shaping'' has been often discussed in the literature, and is often a critical part of practical applications, but there is relatively little formal characterization of how the choice of reward shaping can yield benefits in sample complexity. In this work, we build on the framework of novelty-based exploration to provide a simple scheme for incorporating shaped rewards into RL along with an analysis tool to show that particular choices of reward shaping provably improve sample efficiency. We characterize the class of problems where these gains are expected to be significant and show how this can be connected to practical algorithms in the literature. We confirm that these results hold in practice in an experimental evaluation, providing an insight into the mechanisms through which reward shaping can significantly improve the complexity of reinforcement learning while retaining asymptotic performance.

Pretraining a language model (LM) on text has been shown to help various downstream NLP tasks. Recent works show that a knowledge graph (KG) can complement text data, offering structured background knowledge that provides a useful scaffold for reasoning. However, these works are not pretrained to learn a deep fusion of the two modalities at scale, limiting the potential to acquire fully joint representations of text and KG. Here we propose DRAGON (Deep Bidirectional Language-Knowledge Graph Pretraining), a self-supervised approach to pretraining a deeply joint language-knowledge foundation model from text and KG at scale. Specifically, our model takes pairs of text segments and relevant KG subgraphs as input and bidirectionally fuses information from both modalities. We pretrain this model by unifying two self-supervised reasoning tasks, masked language modeling and KG link prediction. DRAGON outperforms existing LM and LM+KG models on diverse downstream tasks including question answering across general and biomedical domains, with +5% absolute gain on average. In particular, DRAGON achieves notable performance on complex reasoning about language and knowledge (+10% on questions involving long contexts or multi-step reasoning) and low-resource QA (+8% on OBQA and RiddleSense), and new state-of-the-art results on various BioNLP tasks. Our code and trained models are available at https://github.com/michiyasunaga/dragon.

In this study we have presented a novel feature representation for malicious programs that can be used for malware classification. We have shown how to construct the features in a bottom-up approach, and analyzed the overlap of malicious and benign programs in terms of their components. We have shown that our method of analysis offers an increase in feature resolution that is descriptive of data movement in comparison to tf-idf features.

An attached arm can significantly increase the applicability of legged robots to several mobile manipulation tasks that are not possible for the wheeled or tracked counterparts. The standard hierarchical control pipeline for such legged manipulators is to decouple the controller into that of manipulation and locomotion. However, this is ineffective. It requires immense engineering to support coordination between the arm and legs, and error can propagate across modules causing non-smooth unnatural motions. It is also biological implausible given evidence for strong motor synergies across limbs. In this work, we propose to learn a unified policy for whole-body control of a legged manipulator using reinforcement learning. We propose Regularized Online Adaptation to bridge the Sim2Real gap for high-DoF control, and Advantage Mixing exploiting the causal dependency in the action space to overcome local minima during training the whole-body system. We also present a simple design for a low-cost legged manipulator, and find that our unified policy can demonstrate dynamic and agile behaviors across several task setups. Videos are at https://maniploco.github.io

We consider the problem of learning from observation (LfO), in which the agent aims to mimic the expert's behavior from the state-only demonstrations by experts. We additionally assume that the agent cannot interact with the environment but has access to the action-labeled transition data collected by some agents with unknown qualities. This offline setting for LfO is appealing in many real-world scenarios where the ground-truth expert actions are inaccessible and the arbitrary environment interactions are costly or risky. In this paper, we present LobsDICE, an offline LfO algorithm that learns to imitate the expert policy via optimization in the space of stationary distributions. Our algorithm solves a single convex minimization problem, which minimizes the divergence between the two state-transition distributions induced by the expert and the agent policy. Through an extensive set of offline LfO tasks, we show that LobsDICE outperforms strong baseline methods.

Generative adversarial networks (GANs) have achieved impressive performance in data synthesis and have driven the development of many applications. However, GANs are known to be hard to train due to their bilevel objective, which leads to the problems of convergence, mode collapse, and gradient vanishing. In this paper, we propose a new generative model called the generative adversarial NTK (GA-NTK) that has a single-level objective. The GA-NTK keeps the spirit of adversarial learning (which helps generate plausible data) while avoiding the training difficulties of GANs. This is done by modeling the discriminator as a Gaussian process with a neural tangent kernel (NTK-GP) whose training dynamics can be completely described by a closed-form formula. We analyze the convergence behavior of GA-NTK trained by gradient descent and give some sufficient conditions for convergence. We also conduct extensive experiments to study the advantages and limitations of GA-NTK and propose some techniques that make GA-NTK more practical.

We propose using a coordinate network decoder for the task of super-resolution in MRI. The continuous signal representation of coordinate networks enables this approach to be scale-agnostic, i.e. one can train over a continuous range of scales and subsequently query at arbitrary resolutions. Due to the difficulty of performing super-resolution on inherently noisy data, we analyze network behavior under multiple denoising strategies. Lastly we compare this method to a standard convolutional decoder using both quantitative metrics and a radiologist study implemented in Voxel, our newly developed tool for web-based evaluation of medical images.

Automatic differentiation (AD), a technique for constructing new programs which compute the derivative of an original program, has become ubiquitous throughout scientific computing and deep learning due to the improved performance afforded by gradient-based optimization. However, AD systems have been restricted to the subset of programs that have a continuous dependence on parameters. Programs that have discrete stochastic behaviors governed by distribution parameters, such as flipping a coin with probability $p$ of being heads, pose a challenge to these systems because the connection between the result (heads vs tails) and the parameters ($p$) is fundamentally discrete. In this paper we develop a new reparameterization-based methodology that allows for generating programs whose expectation is the derivative of the expectation of the original program. We showcase how this method gives an unbiased and low-variance estimator which is as automated as traditional AD mechanisms. We demonstrate unbiased forward-mode AD of discrete-time Markov chains, agent-based models such as Conway's Game of Life, and unbiased reverse-mode AD of a particle filter. Our code is available at https://github.com/gaurav-arya/StochasticAD.jl.

Deep Neural Networks (DNNs) are known to be vulnerable to backdoor attacks. In Natural Language Processing (NLP), DNNs are often backdoored during the fine-tuning process of a large-scale Pre-trained Language Model (PLM) with poisoned samples. Although the clean weights of PLMs are readily available, existing methods have ignored this information in defending NLP models against backdoor attacks. In this work, we take the first step to exploit the pre-trained (unfine-tuned) weights to mitigate backdoors in fine-tuned language models. Specifically, we leverage the clean pre-trained weights via two complementary techniques: (1) a two-step Fine-mixing technique, which first mixes the backdoored weights (fine-tuned on poisoned data) with the pre-trained weights, then fine-tunes the mixed weights on a small subset of clean data; (2) an Embedding Purification (E-PUR) technique, which mitigates potential backdoors existing in the word embeddings. We compare Fine-mixing with typical backdoor mitigation methods on three single-sentence sentiment classification tasks and two sentence-pair classification tasks and show that it outperforms the baselines by a considerable margin in all scenarios. We also show that our E-PUR method can benefit existing mitigation methods. Our work establishes a simple but strong baseline defense for secure fine-tuned NLP models against backdoor attacks.

In the age of social media, where billions of internet users share information and opinions, the negative impact of pandemics is not limited to the physical world. It provokes a surge of incomplete, biased, and incorrect information, also known as an infodemic. This global infodemic jeopardizes measures to control the pandemic by creating panic, vaccine hesitancy, and fragmented social response. Platforms like Facebook allow advertisers to adapt their messaging to target different demographics and help alleviate or exacerbate the infodemic problem depending on their content. In this paper, we propose a minimally supervised multi-task learning framework for understanding messaging on Facebook related to the covid vaccine by identifying ad themes and moral foundations. Furthermore, we perform a more nuanced thematic analysis of messaging tactics of vaccine campaigns on social media so that policymakers can make better decisions on pandemic control.

By inferring latent groups in the training data, recent works introduce invariant learning to the case where environment annotations are unavailable. Typically, learning group invariance under a majority/minority split is empirically shown to be effective in improving out-of-distribution generalization on many datasets. However, theoretical guarantee for these methods on learning invariant mechanisms is lacking. In this paper, we reveal the insufficiency of existing group invariant learning methods in preventing classifiers from depending on spurious correlations in the training set. Specifically, we propose two criteria on judging such sufficiency. Theoretically and empirically, we show that existing methods can violate both criteria and thus fail in generalizing to spurious correlation shifts. Motivated by this, we design a new group invariant learning method, which constructs groups with statistical independence tests, and reweights samples by group label proportion to meet the criteria. Experiments on both synthetic and real data demonstrate that the new method significantly outperforms existing group invariant learning methods in generalizing to spurious correlation shifts.

Dealing with non-stationarity in environments (e.g., in the transition dynamics) and objectives (e.g., in the reward functions) is a challenging problem that is crucial in real-world applications of reinforcement learning (RL). While most current approaches model the changes as a single shared embedding vector, we leverage insights from the recent causality literature to model non-stationarity in terms of individual latent change factors, and causal graphs across different environments. In particular, we propose Factored Adaptation for Non-Stationary RL (FANS-RL), a factored adaption approach that learns jointly both the causal structure in terms of a factored MDP, and a factored representation of the individual time-varying change factors. We prove that under standard assumptions, we can completely recover the causal graph representing the factored transition and reward function, as well as a partial structure between the individual change factors and the state components. Through our general framework, we can consider general non-stationary scenarios with different function types and changing frequency, including changes across episodes and within episodes. Experimental results demonstrate that FANS-RL outperforms existing approaches in terms of return, compactness of the latent state representation, and robustness to varying degrees of non-stationarity.

The goal of robust reinforcement learning (RL) is to learn a policy that is robust against the uncertainty in model parameters. Parameter uncertainty commonly occurs in many real-world RL applications due to simulator modeling errors, changes in the real-world system dynamics over time, and adversarial disturbances. Robust RL is typically formulated as a max-min problem, where the objective is to learn the policy that maximizes the value against the worst possible models that lie in an uncertainty set. In this work, we propose a robust RL algorithm called Robust Fitted Q-Iteration (RFQI), which uses only an offline dataset to learn the optimal robust policy. Robust RL with offline data is significantly more challenging than its non-robust counterpart because of the minimization over all models present in the robust Bellman operator. This poses challenges in offline data collection, optimization over the models, and unbiased estimation. In this work, we propose a systematic approach to overcome these challenges, resulting in our RFQI algorithm. We prove that RFQI learns a near-optimal robust policy under standard assumptions and demonstrate its superior performance on standard benchmark problems.

A fundamental property of deep learning normalization techniques, such as batch normalization, is making the pre-normalization parameters scale invariant. The intrinsic domain of such parameters is the unit sphere, and therefore their gradient optimization dynamics can be represented via spherical optimization with varying effective learning rate (ELR), which was studied previously. However, the varying ELR may obscure certain characteristics of the intrinsic loss landscape structure. In this work, we investigate the properties of training scale-invariant neural networks directly on the sphere using a fixed ELR. We discover three regimes of such training depending on the ELR value: convergence, chaotic equilibrium, and divergence. We study these regimes in detail both on a theoretical examination of a toy example and on a thorough empirical analysis of real scale-invariant deep learning models. Each regime has unique features and reflects specific properties of the intrinsic loss landscape, some of which have strong parallels with previous research on both regular and scale-invariant neural networks training. Finally, we demonstrate how the discovered regimes are reflected in conventional training of normalized networks and how they can be leveraged to achieve better optima.

Robust 3D object detection is critical for safe autonomous driving. Camera and radar sensors are synergistic as they capture complementary information and work well under different environmental conditions. Fusing camera and radar data is challenging, however, as each of the sensors lacks information along a perpendicular axis, that is, depth is unknown to camera and elevation is unknown to radar. We propose the camera-radar matching network CramNet, an efficient approach to fuse the sensor readings from camera and radar in a joint 3D space. To leverage radar range measurements for better camera depth predictions, we propose a novel ray-constrained cross-attention mechanism that resolves the ambiguity in the geometric correspondences between camera features and radar features. Our method supports training with sensor modality dropout, which leads to robust 3D object detection, even when a camera or radar sensor suddenly malfunctions on a vehicle. We demonstrate the effectiveness of our fusion approach through extensive experiments on the RADIATE dataset, one of the few large-scale datasets that provide radar radio frequency imagery. A camera-only variant of our method achieves competitive performance in monocular 3D object detection on the Waymo Open Dataset.

Active search is a setting in adaptive experimental design where we aim to uncover members of rare, valuable class(es) subject to a budget constraint. An important consideration in this problem is diversity among the discovered targets -- in many applications, diverse discoveries offer more insight and may be preferable in downstream tasks. However, most existing active search policies either assume that all targets belong to a common positive class or encourage diversity via simple heuristics. We present a novel formulation of active search with multiple target classes, characterized by a utility function chosen from a flexible family whose members encourage diversity via a diminishing returns mechanism. We then study this problem under the Bayesian lens and prove a hardness result for approximating the optimal policy for arbitrary positive, increasing, and concave utility functions. Finally, we design an efficient, nonmyopic approximation to the optimal policy for this class of utilities and demonstrate its superior empirical performance in a variety of settings, including drug discovery.

Humans can perform unseen tasks by recalling relevant skills acquired previously and then generalizing them to the target tasks, even if there is no supervision at all. In this paper, we aim to improve this kind of cross-task generalization ability of massive multi-task language models, such as T0 and FLAN, in an unsupervised setting. We propose a retrieval-augmentation method named ReCross that takes a few unlabelled examples as queries to retrieve a small subset of upstream data and uses them to update the multi-task model for better generalization. ReCross is a straightforward yet effective retrieval method that combines both efficient dense retrieval and effective pair-wise reranking. Our results and analysis show that it significantly outperforms both non-retrieval methods and other baseline methods.

A key challenge in the practical application of Gaussian processes (GPs) is selecting a proper covariance function. The moving average, or process convolutions, construction of GPs allows some additional flexibility, but still requires choosing a proper smoothing kernel, which is non-trivial. Previous approaches have built covariance functions by using GP priors over the smoothing kernel, and by extension the covariance, as a way to bypass the need to specify it in advance. However, such models have been limited in several ways: they are restricted to single dimensional inputs, e.g. time; they only allow modelling of single outputs and they do not scale to large datasets since inference is not straightforward. In this paper, we introduce a nonparametric process convolution formulation for GPs that alleviates these weaknesses by using a functional sampling approach based on Matheron's rule to perform fast sampling using interdomain inducing variables. Furthermore, we propose a composition of these nonparametric convolutions that serves as an alternative to classic deep GP models, and allows the covariance functions of the intermediate layers to be inferred from the data. We test the performance of our model on benchmarks for single output GPs, multiple output GPs and deep GPs and find that our approach can provide improvements over standard GP models, particularly for larger datasets.

Multi-agent market simulators usually require careful calibration to emulate real markets, which includes the number and the type of agents. Poorly calibrated simulators can lead to misleading conclusions, potentially causing severe loss when employed by investment banks, hedge funds, and traders to study and evaluate trading strategies. In this paper, we propose a world model simulator that accurately emulates a limit order book market -- it requires no agent calibration but rather learns the simulated market behavior directly from historical data. Traditional approaches fail short to learn and calibrate trader population, as historical labeled data with details on each individual trader strategy is not publicly available. Our approach proposes to learn a unique "world" agent from historical data. It is intended to emulate the overall trader population, without the need of making assumptions about individual market agent strategies. We implement our world agent simulator models as a Conditional Generative Adversarial Network (CGAN), as well as a mixture of parametric distributions, and we compare our models against previous work. Qualitatively and quantitatively, we show that the proposed approaches consistently outperform previous work, providing more realism and responsiveness.

Neural scaling laws define a predictable relationship between a model's parameter count and its performance after training in the form of a power law. However, most research to date has not explicitly investigated whether scaling laws can be used to accelerate model development. In this work, we perform such an empirical investigation across a wide range of language understanding tasks, starting from models with as few as 10K parameters, and evaluate downstream performance across 9 language understanding tasks. We find that scaling laws emerge at finetuning time in some NLP tasks, and that they can also be exploited for debugging convergence when training large models. Moreover, for tasks where scaling laws exist, they can be used to predict the performance of larger models, which enables effective model selection. However, revealing scaling laws requires careful hyperparameter tuning and multiple runs for the purpose of uncertainty estimation, which incurs additional overhead, partially offsetting the computational benefits.

Over the last three decades, researchers have intensively explored various clustering tools for categorical data analysis. Despite the proposal of various clustering algorithms, the classical k-modes algorithm remains a popular choice for unsupervised learning of categorical data. Surprisingly, our first insight is that in a natural generative block model, the k-modes algorithm performs poorly for a large range of parameters. We remedy this issue by proposing a soft rounding variant of the k-modes algorithm (SoftModes) and theoretically prove that our variant addresses the drawbacks of the k-modes algorithm in the generative model. Finally, we empirically verify that SoftModes performs well on both synthetic and real-world datasets.

Energy companies often implement various demand response (DR) programs to better match electricity demand and supply by offering the consumers incentives to reduce their demand during critical periods. Classifying clients according to their consumption patterns enables targeting specific groups of consumers for DR. Traditional clustering algorithms use standard distance measurement to find the distance between two points. The results produced by clustering algorithms such as K-means, K-medoids, and Gaussian Mixture Models depend on the clustering parameters or initial clusters. In contrast, our methodology uses a shape-based approach that combines Agglomerative Hierarchical Clustering (AHC) with Dynamic Time Warping (DTW) to classify residential households' daily load curves based on their consumption patterns. While DTW seeks the optimal alignment between two load curves, AHC provides a realistic initial clusters center. In this paper, we compare the results with other clustering algorithms such as K-means, K-medoids, and GMM using different distance measures, and we show that AHC using DTW outperformed other clustering algorithms and needed fewer clusters.

In this paper, we describe in detail our system for DCASE 2022 Task4. The system combines two considerably different models: an end-to-end Sound Event Detection Transformer (SEDT) and a frame-wise model, Metric Learning and Focal Loss CNN (MLFL-CNN). The former is an event-wise model which learns event-level representations and predicts sound event categories and boundaries directly, while the latter is based on the widely adopted frame-classification scheme, under which each frame is classified into event categories and event boundaries are obtained by post-processing such as thresholding and smoothing. For SEDT, self-supervised pre-training using unlabeled data is applied, and semi-supervised learning is adopted by using an online teacher, which is updated from the student model using the Exponential Moving Average (EMA) strategy and generates reliable pseudo labels for weakly-labeled and unlabeled data. For the frame-wise model, the ICT-TOSHIBA system of DCASE 2021 Task 4 is used. Experimental results show that the hybrid system considerably outperforms either individual model and achieves psds1 of 0.420 and psds2 of 0.783 on the validation set without external data. The code is available at https://github.com/965694547/Hybrid-system-of-frame-wise-model-and-SEDT.

As a practical privacy-preserving learning method, split learning has drawn much attention in academia and industry. However, its security is constantly being questioned since the intermediate results are shared during training and inference. In this paper, we focus on the privacy leakage problem caused by the trained split model, i.e., the attacker can use a few labeled samples to fine-tune the bottom model, and gets quite good performance. To prevent such kind of privacy leakage, we propose the potential energy loss to make the output of the bottom model become a more `complicated' distribution, by pushing outputs of the same class towards the decision boundary. Therefore, the adversary suffers a large generalization error when fine-tuning the bottom model with only a few leaked labeled samples. Experiment results show that our method significantly lowers the attacker's fine-tuning accuracy, making the split model more resilient to label leakage.

We deal with the problem of localized in-video taxonomic human annotation in the video content moderation domain, where the goal is to identify video segments that violate granular policies, e.g., community guidelines on an online video platform. High quality human labeling is critical for enforcement in content moderation. This is challenging due to the problem of information overload - raters need to apply a large taxonomy of granular policy violations with ambiguous definitions, within a limited review duration to relatively long videos. Our key contribution is a novel human-machine learning (ML) collaboration framework aimed at maximizing the quality and efficiency of human decisions in this setting - human labels are used to train segment-level models, the predictions of which are displayed as "hints" to human raters, indicating probable regions of the video with specific policy violations. The human verified/corrected segment labels can help refine the model further, hence creating a human-ML positive feedback loop. Experiments show improved human video moderation decision quality, and efficiency through more granular annotations submitted within a similar review duration, which enable a 5-8% AUC improvement in the hint generation models.

In Bayesian Networks (BNs), the direction of edges is crucial for causal reasoning and inference. However, Markov equivalence class considerations mean it is not always possible to establish edge orientations, which is why many BN structure learning algorithms cannot orientate all edges from purely observational data. Moreover, latent confounders can lead to false positive edges. Relatively few methods have been proposed to address these issues. In this work, we present the hybrid mFGS-BS (majority rule and Fast Greedy equivalence Search with Bayesian Scoring) algorithm for structure learning from discrete data that involves an observational data set and one or more interventional data sets. The algorithm assumes causal insufficiency in the presence of latent variables and produces a Partial Ancestral Graph (PAG). Structure learning relies on a hybrid approach and a novel Bayesian scoring paradigm that calculates the posterior probability of each directed edge being added to the learnt graph. Experimental results based on well-known networks of up to 109 variables and 10k sample size show that mFGS-BS improves structure learning accuracy relative to the state-of-the-art and it is computationally efficient.

Predicting the behaviors of pedestrian crowds is of critical importance for a variety of real-world problems. Data driven modeling, which aims to learn the mathematical models from observed data, is a promising tool to construct models that can make accurate predictions of such systems. In this work, we present a data-driven modeling approach based on the ODE-Net framework, for constructing continuous-time models of crowd dynamics. We discuss some challenging issues in applying the ODE-Net method to such problems, which are primarily associated with the dimensionality of the underlying crowd system, and we propose to address these issues by incorporating the social-force concept in the ODE-Net framework. Finally application examples are provided to demonstrate the performance of the proposed method.

We study differentially private (DP) stochastic optimization (SO) with data containing outliers and loss functions that are (possibly) not Lipschitz continuous. To date, the vast majority of work on DP SO assumes that the loss is uniformly Lipschitz over data (i.e. stochastic gradients are uniformly bounded over all data points). While this assumption is convenient, it is often unrealistic: in many practical problems, the loss function may not be uniformly Lipschitz. Even when the loss function is Lipschitz continuous, the worst-case Lipschitz parameter of the loss over all data points may be extremely large due to outliers. In such cases, the error bounds for DP SO, which scale with the worst-case Lipschitz parameter of the loss, are vacuous. To address these limitations, this work does not require the loss function to be uniformly Lipschitz. Instead, building on a recent line of work [WXDX20, KLZ22], we make the weaker assumption that stochastic gradients have bounded $k$-th order moments for some $k \geq 2$. Compared with works on DP Lipschitz SO, our excess risk scales with the $k$-th moment bound instead of the Lipschitz parameter of the loss, allowing for significantly faster rates in the presence of outliers. For convex and strongly convex loss functions, we provide the first asymptotically optimal excess risk bounds (up to a logarithmic factor). In contrast to the prior works, our bounds do not require the loss function to be differentiable/smooth. We also devise an accelerated algorithm for smooth losses that runs in linear time and has excess risk that is tight in certain practical parameter regimes. Additionally, our work is the first to address non-convex non-Lipschitz loss functions satisfying the Proximal-PL inequality; this covers some practical machine learning models. Our Proximal-PL algorithm has near-optimal excess risk.

We study representations of data from an arbitrary metric space $\mathcal{X}$ in the space of univariate Gaussian mixtures with a transport metric (Delon and Desolneux 2020). We derive embedding guarantees for feature maps implemented by small neural networks called \emph{probabilistic transformers}. Our guarantees are of memorization type: we prove that a probabilistic transformer of depth about $n\log(n)$ and width about $n^2$ can bi-H\"{o}lder embed any $n$-point dataset from $\mathcal{X}$ with low metric distortion, thus avoiding the curse of dimensionality. We further derive probabilistic bi-Lipschitz guarantees, which trade off the amount of distortion and the probability that a randomly chosen pair of points embeds with that distortion. If $\mathcal{X}$'s geometry is sufficiently regular, we obtain stronger, bi-Lipschitz guarantees for all points in the dataset. As applications, we derive neural embedding guarantees for datasets from Riemannian manifolds, metric trees, and certain types of combinatorial graphs. When instead embedding into multivariate Gaussian mixtures, we show that probabilistic transformers can compute bi-H\"{o}lder embeddings with arbitrarily small distortion.

The task of community detection, which aims to partition a network into clusters of nodes to summarize its large-scale structure, has spawned the development of many competing algorithms with varying objectives. Some community detection methods are inferential, explicitly deriving the clustering objective through a probabilistic generative model, while other methods are descriptive, dividing a network according to an objective motivated by a particular application, making it challenging to compare these methods on the same scale. Here we present a solution to this problem that associates any community detection objective, inferential or descriptive, with its corresponding implicit network generative model. This allows us to compute the description length of a network and its partition under arbitrary objectives, providing a principled measure to compare the performance of different algorithms without the need for "ground truth" labels. Our approach also gives access to instances of the community detection problem that are optimal to any given algorithm, and in this way reveals intrinsic biases in popular descriptive methods, explaining their tendency to overfit. Using our framework, we compare a number of community detection methods on artificial networks, and on a corpus of over 500 structurally diverse empirical networks. We find that more expressive community detection methods exhibit consistently superior compression performance on structured data instances, without having degraded performance on a minority of situations where more specialized algorithms perform optimally. Our results undermine the implications of the "no free lunch" theorem for community detection, both conceptually and in practice, since it is confined to unstructured data instances, unlike relevant community detection problems which are structured by requirement.

Face recognition systems are deployed across the world by government agencies and contractors for sensitive and impactful tasks, such as surveillance and database matching. Despite their widespread use, these systems are known to exhibit bias across a range of sociodemographic dimensions, such as gender and race. Nonetheless, an array of works proposing pre-processing, training, and post-processing methods have failed to close these gaps. Here, we take a very different approach to this problem, identifying that both architectures and hyperparameters of neural networks are instrumental in reducing bias. We first run a large-scale analysis of the impact of architectures and training hyperparameters on several common fairness metrics and show that the implicit convention of choosing high-accuracy architectures may be suboptimal for fairness. Motivated by our findings, we run the first neural architecture search for fairness, jointly with a search for hyperparameters. We output a suite of models which Pareto-dominate all other competitive architectures in terms of accuracy and fairness. Furthermore, we show that these models transfer well to other face recognition datasets with similar and distinct protected attributes. We release our code and raw result files so that researchers and practitioners can replace our fairness metrics with a bias measure of their choice.

Link recommendation, which recommends links to connect unlinked online social network users, is a fundamental social network analytics problem with ample business implications. Existing link recommendation methods tend to recommend similar friends to a user but overlook the user's diversity preference, although social psychology theories suggest the criticality of diversity preference to link recommendation performance. In recommender systems, a field related to link recommendation, a number of diversification methods have been proposed to improve the diversity of recommended items. Nevertheless, diversity preference is distinct from diversity studied by diversification methods. To address these research gaps, we define and operationalize the concept of diversity preference for link recommendation and propose a new link recommendation problem: the diversity preference-aware link recommendation problem. We then analyze key properties of the new link recommendation problem and develop a novel link recommendation method to solve the problem. Using two large-scale online social network data sets, we conduct extensive empirical evaluations to demonstrate the superior performance of our method over representative diversification methods adapted for link recommendation as well as state-of-the-art link recommendation methods.

Deep Graph Networks (DGNs) currently dominate the research landscape of learning from graphs, due to their efficiency and ability to implement an adaptive message-passing scheme between the nodes. However, DGNs are typically limited in their ability to propagate and preserve long-term dependencies between nodes, \ie they suffer from the over-squashing phenomena. This reduces their effectiveness, since predictive problems may require to capture interactions at different, and possibly large, radii in order to be effectively solved. In this work, we present Anti-Symmetric Deep Graph Networks (A-DGNs), a framework for stable and non-dissipative DGN design, conceived through the lens of ordinary differential equations. We give theoretical proof that our method is stable and non-dissipative, leading to two key results: long-range information between nodes is preserved, and no gradient vanishing or explosion occurs in training. We empirically validate the proposed approach on several graph benchmarks, showing that A-DGN yields to improved performance and enables to learn effectively even when dozens of layers are used.

Federated learning allows distributed users to collaboratively train a model while keeping each user's data private. Recently, a growing body of work has demonstrated that an eavesdropping attacker can effectively recover image data from gradients transmitted during federated learning. However, little progress has been made in recovering text data. In this paper, we present a novel attack method FILM for federated learning of language models (LMs). For the first time, we show the feasibility of recovering text from large batch sizes of up to 128 sentences. Unlike image-recovery methods that are optimized to match gradients, we take a distinct approach that first identifies a set of words from gradients and then directly reconstructs sentences based on beam search and a prior-based reordering strategy. We conduct the FILM attack on several large-scale datasets and show that it can successfully reconstruct single sentences with high fidelity for large batch sizes and even multiple sentences if applied iteratively. We evaluate three defense methods: gradient pruning, DPSGD, and a simple approach to freeze word embeddings that we propose. We show that both gradient pruning and DPSGD lead to a significant drop in utility. However, if we fine-tune a public pre-trained LM on private text without updating word embeddings, it can effectively defend the attack with minimal data utility loss. Together, we hope that our results can encourage the community to rethink the privacy concerns of LM training and its standard practices in the future.

Grounding spatial relations in natural language for object placing could have ambiguity and compositionality issues. To address the issues, we introduce ParaGon, a PARsing And visual GrOuNding framework for language-conditioned object placement. It parses language instructions into relations between objects and grounds those objects in visual scenes. A particle-based GNN then conducts relational reasoning between grounded objects for placement generation. ParaGon encodes all of those procedures into neural networks for end-to-end training, which avoids annotating parsing and object reference grounding labels. Our approach inherently integrates parsing-based methods into a probabilistic, data-driven framework. It is data-efficient and generalizable for learning compositional instructions, robust to noisy language inputs, and adapts to the uncertainty of ambiguous instructions.

Deductive reasoning over natural language is a challenging problem in NLP. In this work, we focus on proof generation: Given a hypothesis and a set of supporting facts, the model generates a proof tree indicating how to deduce the hypothesis from supporting facts. Compared to generating the entire proof in one shot, stepwise generation can better exploit the compositionality and generalize to longer proofs but has achieved limited success on real-world data. Existing stepwise methods struggle to generate proof steps that are both logically valid and relevant to the hypothesis. Instead, they tend to hallucinate invalid steps given the hypothesis. In this paper, we present a novel stepwise method, NLProofS (Natural Language Proof Search), which learns to generate relevant steps conditioning on the hypothesis. At the core of our approach, we train an independent verifier to check the validity of the proof steps to prevent hallucination. Instead of generating steps greedily, we search for proofs maximizing a global proof score judged by the verifier. NLProofS achieves state-of-the-art performance on EntailmentBank and RuleTaker. Specifically, it improves the correctness of predicted proofs from 27.7% to 33.3% in the distractor setting of EntailmentBank, demonstrating the effectiveness of NLProofS in generating challenging human-authored proofs.

Neural Architecture Search (NAS) has become a de facto approach in the recent trend of AutoML to design deep neural networks (DNNs). Efficient or near-zero-cost NAS proxies are further proposed to address the demanding computational issues of NAS, where each candidate architecture network only requires one iteration of backpropagation. The values obtained from the proxies are considered the predictions of architecture performance on downstream tasks. However, two significant drawbacks hinder the extended usage of Efficient NAS proxies. (1) Efficient proxies are not adaptive to various search spaces. (2) Efficient proxies are not extensible to multi-modality downstream tasks. Based on the observations, we design a Extensible proxy (Eproxy) that utilizes self-supervised, few-shot training (i.e., 10 iterations of backpropagation) which yields near-zero costs. The key component that makes Eproxy efficient is an untrainable convolution layer termed barrier layer that add the non-linearities to the optimization spaces so that the Eproxy can discriminate the performance of architectures in the early stage. Furthermore, to make Eproxy adaptive to different downstream tasks/search spaces, we propose a Discrete Proxy Search (DPS) to find the optimized training settings for Eproxy with only handful of benchmarked architectures on the target tasks. Our extensive experiments confirm the effectiveness of both Eproxy and Eproxy+DPS. Code is available at https://github.com/leeyeehoo/GenNAS-Zero.

As an economical and efficient fundus imaging modality, retinal fundus images have been widely adopted in clinical fundus examination. Unfortunately, fundus images often suffer from quality degradation caused by imaging interferences, leading to misdiagnosis. Despite impressive enhancement performances that state-of-the-art methods have achieved, challenges remain in clinical scenarios. For boosting the clinical deployment of fundus image enhancement, this paper proposes the pyramid constraint to develop a degradation-invariant enhancement network (PCE-Net), which mitigates the demand for clinical data and stably enhances unknown data. Firstly, high-quality images are randomly degraded to form sequences of low-quality ones sharing the same content (SeqLCs). Then individual low-quality images are decomposed to Laplacian pyramid features (LPF) as the multi-level input for the enhancement. Subsequently, a feature pyramid constraint (FPC) for the sequence is introduced to enforce the PCE-Net to learn a degradation-invariant model. Extensive experiments have been conducted under the evaluation metrics of enhancement and segmentation. The effectiveness of the PCE-Net was demonstrated in comparison with state-of-the-art methods and the ablation study. The source code of this study is publicly available at https://github.com/HeverLaw/PCENet-Image-Enhancement.

Solving for adversarial examples with projected gradient descent has been demonstrated to be highly effective in fooling the neural network based classifiers. However, in the black-box setting, the attacker is limited only to the query access to the network and solving for a successful adversarial example becomes much more difficult. To this end, recent methods aim at estimating the true gradient signal based on the input queries but at the cost of excessive queries. We propose an efficient discrete surrogate to the optimization problem which does not require estimating the gradient and consequently becomes free of the first order update hyperparameters to tune. Our experiments on Cifar-10 and ImageNet show the state of the art black-box attack performance with significant reduction in the required queries compared to a number of recently proposed methods. The source code is available at https://github.com/snu-mllab/parsimonious-blackbox-attack.

Transformer-based language models have become a key building block for natural language processing. While these models are extremely accurate, they can be too large and computationally intensive to run on standard deployments. A variety of compression methods, including distillation, quantization, structured and unstructured pruning are known to decrease model size and increase inference speed, with low accuracy loss. In this context, this paper's contributions are two-fold. We perform an in-depth study of the accuracy-compression trade-off for unstructured weight pruning of BERT models. We introduce Optimal BERT Surgeon (oBERT), an efficient and accurate weight pruning method based on approximate second-order information, which we show to yield state-of-the-art results in both stages of language tasks: pre-training and fine-tuning. Specifically, oBERT extends existing work on unstructured second-order pruning by allowing for pruning blocks of weights, and by being applicable at the BERT scale. Second, we investigate the impact of this pruning method when compounding compression approaches to obtain highly compressed but accurate models for deployment on edge devices. These models significantly push boundaries of the current state-of-the-art sparse BERT models with respect to all metrics: model size, inference speed and task accuracy. For example, relative to the dense BERT-base, we obtain 10x model size compression (in MB) with < 1% accuracy drop, 10x CPU-inference speedup with < 2% accuracy drop, and 29x CPU-inference speedup with < 7.5% accuracy drop. Our code, fully integrated with Transformers and SparseML, is available at https://github.com/neuralmagic/sparseml/tree/main/research/optimal_BERT_surgeon_oBERT.

Boosting is a fundamental approach in machine learning that enjoys both strong theoretical and practical guarantees. At a high-level, boosting algorithms cleverly aggregate weak learners to generate predictions with arbitrarily high accuracy. In this way, boosting algorithms convert weak learners into strong ones. Recently, Brukhim et al. extended boosting to the online agnostic binary classification setting. A key ingredient in their approach is a clean and simple reduction to online convex optimization, one that efficiently converts an arbitrary online convex optimizer to an agnostic online booster. In this work, we extend this reduction to multiclass problems and give the first boosting algorithm for online agnostic mutliclass classification. Our reduction also enables the construction of algorithms for statistical agnostic, online realizable, and statistical realizable multiclass boosting.

Recent domain generalization (DG) approaches typically use the hypothesis learned on source domains for inference on the unseen target domain. However, such a hypothesis can be arbitrarily far from the optimal one for the target domain, induced by a gap termed ``adaptivity gap''. Without exploiting the domain information from the unseen test samples, adaptivity gap estimation and minimization are intractable, which hinders us to robustify a model to any unknown distribution. In this paper, we first establish a generalization bound that explicitly considers the adaptivity gap. Our bound motivates two strategies to reduce the gap: the first one is ensembling multiple classifiers to enrich the hypothesis space, then we propose effective gap estimation methods for guiding the selection of a better hypothesis for the target. The other method is minimizing the gap directly by adapting model parameters using online target samples. We thus propose \textbf{Domain-specific Risk Minimization (DRM)}. During training, DRM models the distributions of different source domains separately; for inference, DRM performs online model steering using the source hypothesis for each arriving target sample. Extensive experiments demonstrate the effectiveness of the proposed DRM for domain generalization with the following advantages: 1) it significantly outperforms competitive baselines on different distributional shift settings; 2) it achieves either comparable or superior accuracies on all source domains compared to vanilla empirical risk minimization; 3) it remains simple and efficient during training, and 4) it is complementary to invariant learning approaches.

Multimodal distributions of some physics based model parameters are often encountered in engineering due to different situations such as a change in some environmental conditions, and the presence of some types of damage and nonlinearity. In statistical model updating, for locally identifiable parameters, it can be anticipated that multi-modal posterior distributions would be found. The full characterization of these multi-modal distributions is important as methodologies for structural condition monitoring in structures are frequently based in the comparison of the damaged and healthy models of the structure. The characterization of posterior multi-modal distributions using state-of-the-art sampling techniques would require a large number of simulations of expensive to run physics-based models. Therefore, when a limited number of simulations can be run, as it often occurs in engineering, the traditional sampling techniques would not be able to capture accurately the multimodal distributions. This could potentially lead to large numerical errors when assessing the performance of an engineering structure under uncertainty.

Variance-reduced stochastic gradient methods have gained popularity in recent times. Several variants exist with different strategies for the storing and sampling of gradients and this work concerns the interactions between these two aspects. We present a general proximal variance-reduced gradient method and analyze it under strong convexity assumptions. Special cases of the algorithm include SAGA, L-SVRG and their proximal variants. Our analysis sheds light on epoch-length selection and the need to balance the convergence of the iterates with how often gradients are stored. The analysis improves on other convergence rates found in the literature and produces a new and faster converging sampling strategy for SAGA. Problem instances for which the predicted rates are the same as the practical rates are presented together with problems based on real world data.

Out-of-distribution (OOD) detection, i.e., finding test samples derived from a different distribution than the training set, as well as reasoning about such samples (OOD reasoning), are necessary to ensure the safety of results generated by machine learning models. Recently there have been promising results for OOD detection in the latent space of variational autoencoders (VAEs). However, without disentanglement, VAEs cannot perform OOD reasoning. Disentanglement ensures a one- to-many mapping between generative factors of OOD (e.g., rain in image data) and the latent variables to which they are encoded. Although previous literature has focused on weakly-supervised disentanglement on simple datasets with known and independent generative factors. In practice, achieving full disentanglement through weak supervision is impossible for complex datasets, such as Carla, with unknown and abstract generative factors. As a result, we propose an OOD reasoning framework that learns a partially disentangled VAE to reason about complex datasets. Our framework consists of three steps: partitioning data based on observed generative factors, training a VAE as a logic tensor network that satisfies disentanglement rules, and run-time OOD reasoning. We evaluate our approach on the Carla dataset and compare the results against three state-of-the-art methods. We found that our framework outperformed these methods in terms of disentanglement and end-to-end OOD reasoning.

We present automatically parameterised Fully Homomorphic Encryption (FHE) for encrypted neural network inference and exemplify our inference over FHE compatible neural networks with our own open-source framework and reproducible examples. We use the 4th generation Cheon, Kim, Kim and Song (CKKS) FHE scheme over fixed points provided by the Microsoft Simple Encrypted Arithmetic Library (MS-SEAL). We significantly enhance the usability and applicability of FHE in deep learning contexts, with a focus on the constituent graphs, traversal, and optimisation. We find that FHE is not a panacea for all privacy preserving machine learning (PPML) problems, and that certain limitations still remain, such as model training. However we also find that in certain contexts FHE is well suited for computing completely private predictions with neural networks. The ability to privately compute sensitive problems more easily, while lowering the barriers to entry, can allow otherwise too-sensitive fields to begin advantaging themselves of performant third-party neural networks. Lastly we show how encrypted deep learning can be applied to a sensitive real world problem in agri-food, i.e. strawberry yield forecasting, demonstrating competitive performance. We argue that the adoption of encrypted deep learning methods at scale could allow for a greater adoption of deep learning methodologies where privacy concerns exists, hence having a large positive potential impact within the agri-food sector and its journey to net zero.

The Transformer architecture is ubiquitously used as the building block of large-scale autoregressive language models. However, finding architectures with the optimal trade-off between task performance (perplexity) and hardware constraints like peak memory utilization and latency is non-trivial. This is exacerbated by the proliferation of various hardware. We leverage the somewhat surprising empirical observation that the number of decoder parameters in autoregressive Transformers has a high rank correlation with task performance, irrespective of the architecture topology. This observation organically induces a simple Neural Architecture Search (NAS) algorithm that uses decoder parameters as a proxy for perplexity without need for any model training. The search phase of our training-free algorithm, dubbed Lightweight Transformer Search (LTS), can be run directly on target devices since it does not require GPUs. Using on-target-device measurements, LTS extracts the Pareto-frontier of perplexity versus any hardware performance cost. We evaluate LTS on diverse devices from ARM CPUs to NVIDIA GPUs and two popular autoregressive Transformer backbones: GPT-2 and Transformer-XL. Results show that the perplexity of 16-layer GPT-2 and Transformer-XL can be achieved with up to 1.5x, 2.5x faster runtime and 1.2x, 2.0x lower peak memory utilization. When evaluated in zero and one-shot settings, LTS Pareto-frontier models achieve higher average accuracy compared to the 350M parameter OPT across 14 tasks, with up to 1.6x lower latency. LTS extracts the Pareto-frontier in under 3 hours while running on a commodity laptop. We effectively remove the carbon footprint of hundreds of GPU hours of training during search, offering a strong simple baseline for future NAS methods in autoregressive language modeling.

In the present paper a new data-driven model is proposed to close and increase accuracy of RANS equations. The divergence of the Reynolds Stress Tensor (RST) is obtained through a Neural Network (NN) whose architecture and input choice guarantee both Galilean and coordinates-frame rotation. The former derives from the input choice of the NN while the latter from the expansion of the divergence of the RST into a vector basis. This approach has been widely used for data-driven models for the anisotropic RST or the RST discrepancies and it is here proposed for the divergence of the RST. Hence, a constitutive relation of the divergence of the RST from mean quantities is proposed to obtain such expansion. Moreover, once the proposed data-driven approach is trained, there is no need to run any classic turbulence model to close the equations. The well-known tests of flow in a square duct and over periodic hills are used to show advantages of the present method compared to standard turbulence models.

How reliably can we trust the scores obtained from social bias benchmarks as faithful indicators of problematic social biases in a given language model? In this work, we study this question by contrasting social biases with non-social biases stemming from choices made during dataset construction that might not even be discernible to the human eye. To do so, we empirically simulate various alternative constructions for a given benchmark based on innocuous modifications (such as paraphrasing or random-sampling) that maintain the essence of their social bias. On two well-known social bias benchmarks (Winogender and BiasNLI) we observe that these shallow modifications have a surprising effect on the resulting degree of bias across various models. We hope these troubling observations motivate more robust measures of social biases.

With the employment of smart meters, massive data on consumer behaviour can be collected by retailers. From the collected data, the retailers may obtain the household profile information and implement demand response. While retailers prefer to acquire a model as accurate as possible among different customers, there are two major challenges. First, different retailers in the retail market do not share their consumer's electricity consumption data as these data are regarded as their assets, which has led to the problem of data island. Second, the electricity load data are highly heterogeneous since different retailers may serve various consumers. To this end, a fully distributed short-term load forecasting framework based on a consensus algorithm and Long Short-Term Memory (LSTM) is proposed, which may protect the customer's privacy and satisfy the accurate load forecasting requirement. Specifically, a fully distributed learning framework is exploited for distributed training, and a consensus technique is applied to meet confidential privacy. Case studies show that the proposed method has comparable performance with centralised methods regarding the accuracy, but the proposed method shows advantages in training speed and data privacy.

Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them are significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. This allows us to provide approximation, stability, and descent guarantees. Moreover, our method automatically and dynamically adapts the ranks during training to achieve the desired approximation accuracy. The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.

Message passing neural networks (MPNNs) have become a dominant flavor of graph neural networks (GNNs) in recent years. Yet, MPNNs come with notable limitations; namely, they are at most as powerful as the 1-dimensional Weisfeiler-Leman (1-WL) test in distinguishing graphs in a graph isomorphism testing frame-work. To this end, researchers have drawn inspiration from the k-WL hierarchy to develop more expressive GNNs. However, current k-WL-equivalent GNNs are not practical for even small values of k, as k-WL becomes combinatorially more complex as k grows. At the same time, several works have found great empirical success in graph learning tasks without highly expressive models, implying that chasing expressiveness with a coarse-grained ruler of expressivity like k-WL is often unneeded in practical tasks. To truly understand the expressiveness-complexity tradeoff, one desires a more fine-grained ruler, which can more gradually increase expressiveness. Our work puts forth such a proposal: Namely, we first propose the (k, c)(<=)-SETWL hierarchy with greatly reduced complexity from k-WL, achieved by moving from k-tuples of nodes to sets with <=k nodes defined over <=c connected components in the induced original graph. We show favorable theoretical results for this model in relation to k-WL, and concretize it via (k, c)(<=)-SETGNN, which is as expressive as (k, c)(<=)-SETWL. Our model is practical and progressively-expressive, increasing in power with k and c. We demonstrate effectiveness on several benchmark datasets, achieving several state-of-the-art results with runtime and memory usage applicable to practical graphs. We open source our implementation at https://github.com/LingxiaoShawn/KCSetGNN.

In real-world environments, robots need to be resilient to damages and robust to unforeseen scenarios. Quality-Diversity (QD) algorithms have been successfully used to make robots adapt to damages in seconds by leveraging a diverse set of learned skills. A high diversity of skills increases the chances of a robot to succeed at overcoming new situations since there are more potential alternatives to solve a new task.However, finding and storing a large behavioural diversity of multiple skills often leads to an increase in computational complexity. Furthermore, robot planning in a large skill space is an additional challenge that arises with an increased number of skills. Hierarchical structures can help reducing this search and storage complexity by breaking down skills into primitive skills. In this paper, we introduce the Hierarchical Trial and Error algorithm, which uses a hierarchical behavioural repertoire to learn diverse skills and leverages them to make the robot adapt quickly in the physical world. We show that the hierarchical decomposition of skills enables the robot to learn more complex behaviours while keeping the learning of the repertoire tractable. Experiments with a hexapod robot show that our method solves a maze navigation tasks with 20% less actions in simulation, and 43% less actions in the physical world, for the most challenging scenarios than the best baselines while having 78% less complete failures.

Fairness in data-driven decision-making studies scenarios where individuals from certain population segments may be unfairly treated when being considered for loan or job applications, access to public resources, or other types of services. In location-based applications, decisions are based on individual whereabouts, which often correlate with sensitive attributes such as race, income, and education. While fairness has received significant attention recently, e.g., in machine learning, there is little focus on achieving fairness when dealing with location data. Due to their characteristics and specific type of processing algorithms, location data pose important fairness challenges. We introduce the concept of spatial data fairness to address the specific challenges of location data and spatial queries. We devise a novel building block to achieve fairness in the form of fair polynomials. Next, we propose two mechanisms based on fair polynomials that achieve individual spatial fairness, corresponding to two common location-based decision-making types: distance-based and zone-based. Extensive experimental results on real data show that the proposed mechanisms achieve spatial fairness without sacrificing utility.

Domain decomposition methods are widely used and effective in the approximation of solutions to partial differential equations. Yet the optimal construction of these methods requires tedious analysis and is often available only in simplified, structured-grid settings, limiting their use for more complex problems. In this work, we generalize optimized Schwarz domain decomposition methods to unstructured-grid problems, using Graph Convolutional Neural Networks (GCNNs) and unsupervised learning to learn optimal modifications at subdomain interfaces. A key ingredient in our approach is an improved loss function, enabling effective training on relatively small problems, but robust performance on arbitrarily large problems, with computational cost linear in problem size. The performance of the learned linear solvers is compared with both classical and optimized domain decomposition algorithms, for both structured- and unstructured-grid problems.

In this paper, we establish the global optimality and convergence rate of an off-policy actor critic algorithm in the tabular setting without using density ratio to correct the discrepancy between the state distribution of the behavior policy and that of the target policy. Our work goes beyond existing works on the optimality of policy gradient methods in that existing works use the exact policy gradient for updating the policy parameters while we use an approximate and stochastic update step. Our update step is not a gradient update because we do not use a density ratio to correct the state distribution, which aligns well with what practitioners do. Our update is approximate because we use a learned critic instead of the true value function. Our update is stochastic because at each step the update is done for only the current state action pair. Moreover, we remove several restrictive assumptions from existing works in our analysis. Central to our work is the finite sample analysis of a generic stochastic approximation algorithm with time-inhomogeneous update operators on time-inhomogeneous Markov chains, based on its uniform contraction properties.

We consider optimizing two-layer neural networks in the mean-field regime where the learning dynamics of network weights can be approximated by the evolution in the space of probability measures over the weight parameters associated with the neurons. The mean-field regime is a theoretically attractive alternative to the NTK (lazy training) regime which is only restricted locally in the so-called neural tangent kernel space around specialized initializations. Several prior works (\cite{chizat2018global, mei2018mean}) establish the asymptotic global optimality of the mean-field regime, but it is still challenging to obtain a quantitative convergence rate due to the complicated unbounded nonlinearity of the training dynamics. This work establishes the first linear convergence result for vanilla two-layer neural networks trained by continuous-time noisy gradient descent in the mean-field regime. Our result relies on a novel time-depdendent estimate of the logarithmic Sobolev constants for a family of measures determined by the evolving distribution of hidden neurons.

The problem of classifying turbulent environments from partial observation is key for some theoretical and applied fields, from engineering to earth observation and astrophysics, e.g. to precondition searching of optimal control policies in different turbulent backgrounds, to predict the probability of rare events and/or to infer physical parameters labelling different turbulent set-ups. To achieve such goal one can use different tools depending on the system's knowledge and on the quality and quantity of the accessible data. In this context, we assume to work in a model-free setup completely blind to all dynamical laws, but with a large quantity of (good quality) data for training. As a prototype of complex flows with different attractors, and different multi-scale statistical properties we selected 10 turbulent 'ensembles' by changing the rotation frequency of the frame of reference of the 3d domain and we suppose to have access to a set of partial observations limited to the instantaneous kinetic energy distribution in a 2d plane, as it is often the case in geophysics and astrophysics. We compare results obtained by a Machine Learning (ML) approach consisting of a state-of-the-art Deep Convolutional Neural Network (DCNN) against Bayesian inference which exploits the information on velocity and enstrophy moments. First, we discuss the supremacy of the ML approach, presenting also results at changing the number of training data and of the hyper-parameters. Second, we present an ablation study on the input data aimed to perform a ranking on the importance of the flow features used by the DCNN, helping to identify the main physical contents used by the classifier. Finally, we discuss the main limitations of such data-driven methods and potential interesting applications.

Gradient Descent (GD) is a powerful workhorse of modern machine learning thanks to its scalability and efficiency in high-dimensional spaces. Its ability to find local minimisers is only guaranteed for losses with Lipschitz gradients, where it can be seen as a `bona-fide' discretisation of an underlying gradient flow. Yet, many ML setups involving overparametrised models do not fall into this problem class, which has motivated research beyond the so-called ``Edge of Stability'' (EoS), where the step-size crosses the admissibility threshold inversely proportional to the Lipschitz constant above. Perhaps surprisingly, GD has been empirically observed to still converge regardless of local instability and oscillatory behavior. The incipient theoretical analysis of this phenomena has mainly focused in the overparametrised regime, where the effect of choosing a large learning rate may be associated to a `Sharpness-Minimisation' implicit regularisation within the manifold of minimisers, under appropriate asymptotic limits. In contrast, in this work we directly examine the conditions for such unstable convergence, focusing on simple, yet representative, learning problems. Specifically, we characterize a local condition involving third-order derivatives that stabilizes oscillations of GD above the EoS, and leverage such property in a teacher-student setting, under population loss. Finally, focusing on Matrix Factorization, we establish a non-asymptotic `Local Implicit Bias' of GD above the EoS, whereby quasi-symmetric initializations converge to symmetric solutions -- where sharpness is minimum amongst all minimisers.

Having similar behavior at training time and test time $-$ what we call a "What You See Is What You Get" (WYSIWYG) property $-$ is desirable in machine learning. Models trained with standard stochastic gradient descent (SGD), however, do not necessarily have this property, as their complex behaviors such as robustness or subgroup performance can differ drastically between training and test time. In contrast, we show that Differentially-Private (DP) training provably ensures the high-level WYSIWYG property, which we quantify using a notion of distributional generalization. Applying this connection, we introduce new conceptual tools for designing deep-learning methods by reducing generalization concerns to optimization ones: to mitigate unwanted behavior at test time, it is provably sufficient to mitigate this behavior on the training data. By applying this novel design principle, which bypasses "pathologies" of SGD, we construct simple algorithms that are competitive with SOTA in several distributional-robustness applications, significantly improve the privacy vs. disparate impact trade-off of DP-SGD, and mitigate robust overfitting in adversarial training. Finally, we also improve on theoretical bounds relating DP, stability, and distributional generalization.

While the difficulty of reinforcement learning problems is typically related to the complexity of their state spaces, Abstraction proposes that solutions often lie in simpler underlying latent spaces. Prior works have focused on learning either a continuous or dense abstraction, or require a human to provide one. Information-dense representations capture features irrelevant for solving tasks, and continuous spaces can struggle to represent discrete objects. In this work we automatically learn a sparse discrete abstraction of the underlying environment. We do so using a simple end-to-end trainable model based on the successor representation and max-entropy regularization. We describe an algorithm to apply our model, named Discrete State-Action Abstraction (DSAA), which computes an action abstraction in the form of temporally extended actions, i.e., Options, to transition between discrete abstract states. Empirically, we demonstrate the effects of different exploration schemes on our resulting abstraction, and show that it is efficient for solving downstream tasks.

\Episode-based reinforcement learning (ERL) algorithms treat reinforcement learning (RL) as a black-box optimization problem where we learn to select a parameter vector of a controller, often represented as a movement primitive, for a given task descriptor called a context. ERL offers several distinct benefits in comparison to step-based RL. It generates smooth control trajectories, can handle non-Markovian reward definitions, and the resulting exploration in parameter space is well suited for solving sparse reward settings. Yet, the high dimensionality of the movement primitive parameters has so far hampered the effective use of deep RL methods. In this paper, we present a new algorithm for deep ERL. It is based on differentiable trust region layers, a successful on-policy deep RL algorithm. These layers allow us to specify trust regions for the policy update that are solved exactly for each state using convex optimization, which enables policies learning with the high precision required for the ERL. We compare our ERL algorithm to state-of-the-art step-based algorithms in many complex simulated robotic control tasks. In doing so, we investigate different reward formulations - dense, sparse, and non-Markovian. While step-based algorithms perform well only on dense rewards, ERL performs favorably on sparse and non-Markovian rewards. Moreover, our results show that the sparse and the non-Markovian rewards are also often better suited to define the desired behavior, allowing us to obtain considerably higher quality policies compared to step-based RL.

Understanding deep learning is increasingly emergent as it penetrates more and more into industry and science. In recent years, a research line from Fourier analysis sheds lights into this magical "black box" by showing a Frequency Principle (F-Principle or spectral bias) of the training behavior of deep neural networks (DNNs) -- DNNs often fit functions from low to high frequency during the training. The F-Principle is first demonstrated by one-dimensional synthetic data followed by the verification in high-dimensional real datasets. A series of works subsequently enhance the validity of the F-Principle. This low-frequency implicit bias reveals the strength of neural network in learning low-frequency functions as well as its deficiency in learning high-frequency functions. Such understanding inspires the design of DNN-based algorithms in practical problems, explains experimental phenomena emerging in various scenarios, and further advances the study of deep learning from the frequency perspective. Although incomplete, we provide an overview of F-Principle and propose some open problems for future research.

Recently, Wong et al. showed that adversarial training with single-step FGSM leads to a characteristic failure mode named Catastrophic Overfitting (CO), in which a model becomes suddenly vulnerable to multi-step attacks. Experimentally they showed that simply adding a random perturbation prior to FGSM (RS-FGSM) could prevent CO. However, Andriushchenko and Flammarion observed that RS-FGSM still leads to CO for larger perturbations, and proposed a computationally expensive regularizer (GradAlign) to avoid it. In this work, we methodically revisit the role of noise and clipping in single-step adversarial training. Contrary to previous intuitions, we find that using a stronger noise around the clean sample combined with \textit{not clipping} is highly effective in avoiding CO for large perturbation radii. We then propose Noise-FGSM (N-FGSM) that, while providing the benefits of single-step adversarial training, does not suffer from CO. Empirical analyses on a large suite of experiments show that N-FGSM is able to match or surpass the performance of previous state-of-the-art GradAlign, while achieving 3x speed-up. Code can be found in https://github.com/pdejorge/N-FGSM

Self-supervision has emerged as a propitious method for visual representation learning after the recent paradigm shift from handcrafted pretext tasks to instance-similarity based approaches. Most state-of-the-art methods enforce similarity between various augmentations of a given image, while some methods additionally use contrastive approaches to explicitly ensure diverse representations. While these approaches have indeed shown promising direction, they require a significantly larger number of training iterations when compared to the supervised counterparts. In this work, we explore reasons for the slow convergence of these methods, and further propose to strengthen them using well-posed auxiliary tasks that converge significantly faster, and are also useful for representation learning. The proposed method utilizes the task of rotation prediction to improve the efficiency of existing state-of-the-art methods. We demonstrate significant gains in performance using the proposed method on multiple datasets, specifically for lower training epochs.

The application of machine learning in safety-critical systems requires a reliable assessment of uncertainty. However, deep neural networks are known to produce highly overconfident predictions on out-of-distribution (OOD) data. Even if trained to be non-confident on OOD data, one can still adversarially manipulate OOD data so that the classifier again assigns high confidence to the manipulated samples. We show that two previously published defenses can be broken by better adapted attacks, highlighting the importance of robustness guarantees around OOD data. Since the existing method for this task is hard to train and significantly limits accuracy, we construct a classifier that can simultaneously achieve provably adversarially robust OOD detection and high clean accuracy. Moreover, by slightly modifying the classifier's architecture our method provably avoids the asymptotic overconfidence problem of standard neural networks. We provide code for all our experiments.

Gaussian Bayesian networks (a.k.a. linear Gaussian structural equation models) are widely used to model causal interactions among continuous variables. In this work, we study the problem of learning a fixed-structure Gaussian Bayesian network up to a bounded error in total variation distance. We analyze the commonly used node-wise least squares regression (LeastSquares) and prove that it has a near-optimal sample complexity. We also study a couple of new algorithms for the problem: - BatchAvgLeastSquares takes the average of several batches of least squares solutions at each node, so that one can interpolate between the batch size and the number of batches. We show that BatchAvgLeastSquares also has near-optimal sample complexity. - CauchyEst takes the median of solutions to several batches of linear systems at each node. We show that the algorithm specialized to polytrees, CauchyEstTree, has near-optimal sample complexity. Experimentally, we show that for uncontaminated, realizable data, the LeastSquares algorithm performs best, but in the presence of contamination or DAG misspecification, CauchyEst/CauchyEstTree and BatchAvgLeastSquares respectively perform better.

Graph neural networks (GNNs) are composed of layers consisting of graph convolutions and pointwise nonlinearities. Due to their invariance and stability properties, GNNs are provably successful at learning representations from data supported on moderate-scale graphs. However, they are difficult to learn on large-scale graphs. In this paper, we study the problem of training GNNs on graphs of moderate size and transferring them to large-scale graphs. We use graph limits called graphons to define limit objects for graph filters and GNNs -- graphon filters and graphon neural networks (WNNs) -- which we interpret as generative models for graph filters and GNNs. We then show that graphon filters and WNNs can be approximated by graph filters and GNNs sampled from them on weighted and stochastic graphs. Because the error of these approximations can be upper bounded, by a triangle inequality argument we can further bound the error of transferring a graph filter or a GNN across graphs. Our results show that (i) the transference error decreases with the graph size, and (ii) that graph filters have a transferability-discriminability tradeoff that in GNNs is alleviated by the scattering behavior of the nonlinearity. These findings are demonstrated empirically in a movie recommendation problem and in a decentralized control task.

Recently, diabetic retinopathy (DR) screening utilizing ultra-wide optical coherence tomography angiography (UW-OCTA) has been used in clinical practices to detect signs of early DR. However, developing a deep learning-based DR analysis system using UW-OCTA images is not trivial due to the difficulty of data collection and the absence of public datasets. By realistic constraints, a model trained on small datasets may obtain sub-par performance. Therefore, to help ophthalmologists be less confused about models' incorrect decisions, the models should be robust even in data scarcity settings. To address the above practical challenging, we present a comprehensive empirical study for DR analysis tasks, including lesion segmentation, image quality assessment, and DR grading. For each task, we introduce a robust training scheme by leveraging ensemble learning, data augmentation, and semi-supervised learning. Furthermore, we propose reliable pseudo labeling that excludes uncertain pseudo-labels based on the model's confidence scores to reduce the negative effect of noisy pseudo-labels. By exploiting the proposed approaches, we achieved 1st place in the Diabetic Retinopathy Analysis Challenge.

Due to spurious correlations, machine learning systems often fail to generalize to environments whose distributions differ from the ones used at training time. Prior work addressing this, either explicitly or implicitly, attempted to find a data representation that has an invariant relationship with the target. This is done by leveraging a diverse set of training environments to reduce the effect of spurious features and build an invariant predictor. However, these methods have generalization guarantees only when both data representation and classifiers come from a linear model class. We propose invariant Causal Representation Learning (iCaRL), an approach that enables out-of-distribution (OOD) generalization in the nonlinear setting (i.e., nonlinear representations and nonlinear classifiers). It builds upon a practical and general assumption: the prior over the data representation (i.e., a set of latent variables encoding the data) given the target and the environment belongs to general exponential family distributions. Based on this, we show that it is possible to identify the data representation up to simple transformations. We also prove that all direct causes of the target can be fully discovered, which further enables us to obtain generalization guarantees in the nonlinear setting. Extensive experiments on both synthetic and real-world datasets show that our approach outperforms a variety of baseline methods. Finally, in the discussion, we further explore the aforementioned assumption and propose a more general hypothesis, called the Agnostic Hypothesis: there exist a set of hidden causal factors affecting both inputs and outcomes. The Agnostic Hypothesis can provide a unifying view of machine learning. More importantly, it can inspire a new direction to explore a general theory for identifying hidden causal factors, which is key to enabling the OOD generalization guarantees.

Domain adaptation for sensor-based activity learning is of utmost importance in remote health monitoring research. However, many domain adaptation algorithms suffer with failure to operate adaptation in presence of target domain heterogeneity (which is always present in reality) and presence of multiple inhabitants dramatically hinders their generalizability producing unsatisfactory results for semi-supervised and unseen activity learning tasks. We propose \emph{AEDA}, a novel deep auto-encoder-based model to enable semi-supervised domain adaptation in the existence of target domain heterogeneity and how to incorporate it to empower heterogeneity to any homogeneous deep domain adaptation architecture for cross-domain activity learning. Experimental evaluation on 18 different heterogeneous and multi-inhabitants use-cases of 8 different domains created from 2 publicly available human activity datasets (wearable and ambient smart homes) shows that \emph{AEDA} outperforms (max. 12.8\% and 8.9\% improvements for ambient smart home and wearables) over existing domain adaptation techniques for both seen and unseen activity learning in a heterogeneous setting.

We focus on the problem of training RL agents on multiple training environments to improve observational generalization performance. In prior methods, policy and value networks are separately optimized using a disjoint network architecture to avoid interference and obtain a more accurate value function. We identify that the value network in the multiple-environment setting is more challenging to optimize and prone to overfitting training data than in the conventional single-environment setting. In addition, we find that appropriate regularization of the value network is required for better training and test performance. To this end, we propose Delayed-Critic Policy Gradient (DCPG), which implicitly penalizes the value estimates by optimizing the value network less frequently with more training data than the policy network, which can be implemented using a shared network architecture. Furthermore, we introduce a simple self-supervised task that learns the forward and inverse dynamics of environments using a single discriminator, which can be jointly optimized with the value network. Our proposed algorithms significantly improve observational generalization performance and sample efficiency in the Procgen Benchmark.

Deep neural networks often fail to generalize outside of their training distribution, in particular when only a single data domain is available during training. While test-time adaptation has yielded encouraging results in this setting, we argue that, to reach further improvements, these approaches should be combined with training procedure modifications aiming to learn a more diverse set of patterns. Indeed, test-time adaptation methods usually have to rely on a limited representation because of the shortcut learning phenomenon: only a subset of the available predictive patterns is learned with standard training. In this paper, we first show that the combined use of existing training-time strategies, and test-time batch normalization, a simple adaptation method, does not always improve upon the test-time adaptation alone on the PACS benchmark. Furthermore, experiments on Office-Home show that very few training-time methods improve upon standard training, with or without test-time batch normalization. We therefore propose a novel approach using a pair of classifiers and a shortcut patterns avoidance loss that mitigates the shortcut learning behavior by reducing the generalization ability of the secondary classifier, using the additional shortcut patterns avoidance loss that encourages the learning of samples specific patterns. The primary classifier is trained normally, resulting in the learning of both the natural and the more complex, less generalizable, features. Our experiments show that our method improves upon the state-of-the-art results on both benchmarks and benefits the most to test-time batch normalization.

Deep learning models tend to memorize training data, which hurts their ability to generalize to under-represented classes. We empirically study a convolutional neural network's internal representation of imbalanced image data and measure the generalization gap between a model's feature embeddings in the training and test sets, showing that the gap is wider for minority classes. This insight enables us to design an efficient three-phase CNN training framework for imbalanced data. The framework involves training the network end-to-end on imbalanced data to learn accurate feature embeddings, performing data augmentation in the learned embedded space to balance the train distribution, and fine-tuning the classifier head on the embedded balanced training data. We propose Expansive Over-Sampling (EOS) as a data augmentation technique to utilize in the training framework. EOS forms synthetic training instances as convex combinations between the minority class samples and their nearest enemies in the embedded space to reduce the generalization gap. The proposed framework improves the accuracy over leading cost-sensitive and resampling methods commonly used in imbalanced learning. Moreover, it is more computationally efficient than standard data pre-processing methods, such as SMOTE and GAN-based oversampling, as it requires fewer parameters and less training time.

In Multi-Task Learning, tasks may compete and limit the performance achieved on each other rather than guiding the optimization trajectory to a common solution, superior to its single-task counterparts. There is often not a single solution that is optimal for all tasks, leading practitioners to balance tradeoffs between tasks' performance, and to resort to optimality in the Pareto sense. Current Multi-Task Learning methodologies either completely neglect this aspect of functional diversity, and produce one solution in the Pareto Front predefined by their optimization schemes, or produce diverse but discrete solutions, each requiring a separate training run. In this paper, we conjecture that there exist Pareto Subspaces, i.e., weight subspaces where multiple optimal functional solutions lie. We propose Pareto Manifold Learning, an ensembling method in weight space that is able to discover such a parameterization and produces a continuous Pareto Front in a single training run, allowing practitioners to modulate the performance on each task during inference on the fly. We validate the proposed method on a diverse set of multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, and show that Pareto Manifold Learning outperforms state-of-the-art algorithms.

Solving parity games is a major building block for numerous applications in reactive program verification and synthesis. While there exist efficient approaches to solving parity games in practice, none of these have a polynomial worst-case runtime complexity. We present a incomplete approach to determining the winning regions of parity games via graph neural networks. Our evaluation on 900 randomly generated parity games shows that this approach is efficient in practice. It moreover correctly determines the winning regions of ~60% of the games in our data set and only incurs minor errors in the remaining ones.

Artificial intelligence (AI) is revolutionizing many areas of our lives, leading a new era of technological advancement. Particularly, the transportation sector would benefit from the progress in AI and advance the development of intelligent transportation systems. Building intelligent transportation systems requires an intricate combination of artificial intelligence and mobility analysis. The past few years have seen rapid development in transportation applications using advanced deep neural networks. However, such deep neural networks are difficult to interpret and lack robustness, which slows the deployment of these AI-powered algorithms in practice. To improve their usability, increasing research efforts have been devoted to developing interpretable and robust machine learning methods, among which the causal inference approach recently gained traction as it provides interpretable and actionable information. Moreover, most of these methods are developed for image or sequential data which do not satisfy specific requirements of mobility data analysis. This vision paper emphasizes research challenges in deep learning-based mobility analysis that require interpretability and robustness, summarizes recent developments in using causal inference for improving the interpretability and robustness of machine learning methods, and highlights opportunities in developing causally-enabled machine learning models tailored for mobility analysis. This research direction will make AI in the transportation sector more interpretable and reliable, thus contributing to safer, more efficient, and more sustainable future transportation systems.

An approach is proposed to quantify, in bits of information, the actual relevance of analogies in analogy tests. The main component of this approach is a softaccuracy estimator that also yields entropy estimates with compensated biases. Experimental results obtained with pre-trained GloVe 300-D vectors and two public analogy test sets show that proximity hints are much more relevant than analogies in analogy tests, from an information content perspective. Accordingly, a simple word embedding model is used to predict that analogies carry about one bit of information, which is experimentally corroborated.

Humans can systematically generalize to novel compositions of existing concepts. Recent studies argue that neural networks appear inherently ineffective in such cognitive capacity, leading to a pessimistic view and a lack of attention to optimistic results. We revisit this controversial topic from the perspective of meaningful learning, an exceptional capability of humans to learn novel concepts by connecting them with known ones. We reassess the compositional skills of sequence-to-sequence models conditioned on the semantic links between new and old concepts. Our observations suggest that models can successfully one-shot generalize to novel concepts and compositions through semantic linking, either inductively or deductively. We demonstrate that prior knowledge plays a key role as well. In addition to synthetic tests, we further conduct proof-of-concept experiments in machine translation and semantic parsing, showing the benefits of meaningful learning in applications. We hope our positive findings will encourage excavating modern neural networks' potential in systematic generalization through more advanced learning schemes.

Previous work on concept identification in neural representations has focused on linear concept subspaces and their neutralization. In this work, we formulate the notion of linear guardedness -- the inability to directly predict a given concept from the representation -- and study its implications. We show that, in the binary case, the neutralized concept cannot be recovered by an additional linear layer. However, we point out that -- contrary to what was implicitly argued in previous works -- multiclass softmax classifiers can be constructed that indirectly recover the concept. Thus, linear guardedness does not guarantee that linear classifiers do not utilize the neutralized concepts, shedding light on theoretical limitations of linear information removal methods.

The recent years we have seen the rise of graph neural networks for prediction tasks on graphs. One of the dominant architectures is graph attention due to its ability to make predictions using weighted edge features and not only node features. In this paper we analyze, theoretically and empirically, graph attention networks and their ability of correctly labelling nodes in a classic classification task. More specifically, we study the performance of graph attention on the classic contextual stochastic block model (CSBM). In CSBM the nodes and edge features are obtained from a mixture of Gaussians and the edges from a stochastic block model. We consider a general graph attention mechanism that takes random edge features as input to determine the attention coefficients. We study two cases, in the first one, when the edge features are noisy, we prove that the majority of the attention coefficients are up to a constant uniform. This allows us to prove that graph attention with edge features is not better than simple graph convolution for achieving perfect node classification. Second, we prove that when the edge features are clean graph attention can distinguish intra- from inter-edges and this makes graph attention better than classic graph convolution.

Bilingual lexicon induction induces the word translations by aligning independently trained word embeddings in two languages. Existing approaches generally focus on minimizing the distances between words in the aligned pairs, while suffering from low discriminative capability to distinguish the relative orders between positive and negative candidates. In addition, the mapping function is globally shared by all words, whose performance might be hindered by the deviations in the distributions of different languages. In this work, we propose a novel ranking-oriented induction model RAPO to learn personalized mapping function for each word. RAPO is capable of enjoying the merits from the unique characteristics of a single word and the cross-language isomorphism simultaneously. Extensive experimental results on public datasets including both rich-resource and low-resource languages demonstrate the superiority of our proposal. Our code is publicly available in \url{https://github.com/Jlfj345wf/RAPO}.

We consider a setting that a model needs to adapt to a new domain under distribution shifts, given that only unlabeled test samples from the new domain are accessible at test time. A common idea in most of the related works is constructing pseudo-labels for the unlabeled test samples and applying gradient descent (GD) to a loss function with the pseudo-labels. Recently, Goyal et al. (2022) propose conjugate labels, which is a new kind of pseudo-labels for self-training at test time. They empirically show that the conjugate label outperforms other ways of pseudo-labeling on many domain adaptation benchmarks. However, provably showing that GD with conjugate labels learns a good classifier for test-time adaptation remains open. In this work, we aim at theoretically understanding GD with hard and conjugate labels for a binary classification problem. We show that for square loss, GD with conjugate labels converges to a solution that minimizes the testing 0-1 loss under a Gaussian model, while GD with hard pseudo-labels fails in this task. We also analyze them under different loss functions for the update. Our results shed lights on understanding when and why GD with hard labels or conjugate labels works in test-time adaptation.

Despite the great promise of quantum machine learning models, there are several challenges one must overcome before unlocking their full potential. For instance, models based on quantum neural networks (QNNs) can suffer from excessive local minima and barren plateaus in their training landscapes. Recently, the nascent field of geometric quantum machine learning (GQML) has emerged as a potential solution to some of those issues. The key insight of GQML is that one should design architectures, such as equivariant QNNs, encoding the symmetries of the problem at hand. Here, we focus on problems with permutation symmetry (i.e., the group of symmetry $S_n$), and show how to build $S_n$-equivariant QNNs. We provide an analytical study of their performance, proving that they do not suffer from barren plateaus, quickly reach overparametrization, and can generalize well from small amounts of data. To verify our results, we perform numerical simulations for a graph state classification task. Our work provides the first theoretical guarantees for equivariant QNNs, thus indicating the extreme power and potential of GQML.

We develop a novel framework to accelerate Gaussian process regression (GPR). In particular, we consider localization kernels at each data point to down-weigh the contributions from other data points that are far away, and we derive the GPR model stemming from the application of such localization operation. Through a set of experiments, we demonstrate the competitive performance of the proposed approach compared to full GPR, other localized models, and deep Gaussian processes. Crucially, these performances are obtained with considerable speedups compared to standard global GPR due to the sparsification effect of the Gram matrix induced by the localization operation.

The steadily high demand for cash contributes to the expansion of the network of Bank payment terminals. To optimize the amount of cash in payment terminals, it is necessary to minimize the cost of servicing them and ensure that there are no excess funds in the network. The purpose of this work is to create a cash management system in the network of payment terminals. The article discusses the solution to the problem of determining the optimal amount of funds to be loaded into the terminals, and the effective frequency of collection, which allows to get additional income by investing the released funds. The paper presents the results of predicting daily cash withdrawals at ATMs using a triple exponential smoothing model, a recurrent neural network with long short-term memory, and a model of singular spectrum analysis. These forecasting models allowed us to obtain a sufficient level of correct forecasts with good accuracy and completeness. The results of forecasting cash withdrawals were used to build a discrete optimal control model, which was used to develop an optimal schedule for adding funds to the payment terminal. It is proved that the efficiency and reliability of the proposed model is higher than that of the classical Baumol-Tobin inventory management model: when tested on the time series of three ATMs, the discrete optimal control model did not allow exhaustion of funds and allowed to earn on average 30% more than the classical model.

Recent advances in zero-shot image recognition suggest that vision-language models learn generic visual representations with a high degree of semantic information that may be arbitrarily probed with natural language phrases. Understanding an image, however, is not just about understanding what content resides within an image, but importantly, where that content resides. In this work we examine how well vision-language models are able to understand where objects reside within an image and group together visually related parts of the imagery. We demonstrate how contemporary vision and language representation learning models based on contrastive losses and large web-based data capture limited object localization information. We propose a minimal set of modifications that results in models that uniquely learn both semantic and spatial information. We measure this performance in terms of zero-shot image recognition, unsupervised bottom-up and top-down semantic segmentations, as well as robustness analyses. We find that the resulting model achieves state-of-the-art results in terms of unsupervised segmentation, and demonstrate that the learned representations are uniquely robust to spurious correlations in datasets designed to probe the causal behavior of vision models.

A critical need for industrial recommender systems is the ability to evaluate recommendation policies offline, before deploying them to production. Unfortunately, widely used off-policy evaluation methods either make strong assumptions about how users behave that can lead to excessive bias, or they make fewer assumptions and suffer from large variance. We tackle this problem by developing a new estimator that mitigates the problems of the two most popular off-policy estimators for rankings, namely the position-based model and the item-position model. In particular, the new estimator, called INTERPOL, addresses the bias of a potentially misspecified position-based model, while providing an adaptable bias-variance trade-off compared to the item-position model. We provide theoretical arguments as well as empirical results that highlight the performance of our novel estimation approach.

We consider a new problem of few-shot learning of compact models. Meta-learning is a popular approach for few-shot learning. Previous work in meta-learning typically assumes that the model architecture during meta-training is the same as the model architecture used for final deployment. In this paper, we challenge this basic assumption. For final deployment, we often need the model to be small. But small models usually do not have enough capacity to effectively adapt to new tasks. In the mean time, we often have access to the large dataset and extensive computing power during meta-training since meta-training is typically performed on a server. In this paper, we propose task-specific meta distillation that simultaneously learns two models in meta-learning: a large teacher model and a small student model. These two models are jointly learned during meta-training. Given a new task during meta-testing, the teacher model is first adapted to this task, then the adapted teacher model is used to guide the adaptation of the student model. The adapted student model is used for final deployment. We demonstrate the effectiveness of our approach in few-shot image classification using model-agnostic meta-learning (MAML). Our proposed method outperforms other alternatives on several benchmark datasets.

While modern machine learning models rely on increasingly large training datasets, data is often limited in privacy-sensitive domains. Generative models trained with differential privacy (DP) on sensitive data can sidestep this challenge, providing access to synthetic data instead. However, training DP generative models is highly challenging due to the noise injected into training to enforce DP. We propose to leverage diffusion models (DMs), an emerging class of deep generative models, and introduce Differentially Private Diffusion Models (DPDMs), which enforce privacy using differentially private stochastic gradient descent (DP-SGD). We motivate why DP-SGD is well suited for training DPDMs, and thoroughly investigate the DM parameterization and the sampling algorithm, which turn out to be crucial ingredients in DPDMs. Furthermore, we propose noise multiplicity, a simple yet powerful modification of the DM training objective tailored to the DP setting to boost performance. We validate our novel DPDMs on widely-used image generation benchmarks and achieve state-of-the-art (SOTA) performance by large margins. For example, on MNIST we improve the SOTA FID from 48.4 to 5.01 and downstream classification accuracy from 83.2% to 98.1% for the privacy setting DP-$(\varepsilon{=}10, \delta{=}10^{-5})$. Moreover, on standard benchmarks, classifiers trained on DPDM-generated synthetic data perform on par with task-specific DP-SGD-trained classifiers, which has not been demonstrated before for DP generative models. Project page and code: https://nv-tlabs.github.io/DPDM.

The recent rapid advances in machine learning technologies largely depend on the vast richness of data available today, in terms of both the quantity and the rich content contained within. For example, biometric data such as images and voices could reveal people's attributes like age, gender, sentiment, and origin, whereas location/motion data could be used to infer people's activity levels, transportation modes, and life habits. Along with the new services and applications enabled by such technological advances, various governmental policies are put in place to regulate such data usage and protect people's privacy and rights. As a result, data owners often opt for simple data obfuscation (e.g., blur people's faces in images) or withholding data altogether, which leads to severe data quality degradation and greatly limits the data's potential utility. Aiming for a sophisticated mechanism which gives data owners fine-grained control while retaining the maximal degree of data utility, we propose Multi-attribute Selective Suppression, or MaSS, a general framework for performing precisely targeted data surgery to simultaneously suppress any selected set of attributes while preserving the rest for downstream machine learning tasks. MaSS learns a data modifier through adversarial games between two sets of networks, where one is aimed at suppressing selected attributes, and the other ensures the retention of the rest of the attributes via general contrastive loss as well as explicit classification metrics. We carried out an extensive evaluation of our proposed method using multiple datasets from different domains including facial images, voice audio, and video clips, and obtained promising results in MaSS' generalizability and capability of suppressing targeted attributes without negatively affecting the data's usability in other downstream ML tasks.

Explainable Artificial Intelligence - XAI is aimed at studying and developing techniques to explain black box models, that is, models that provide limited self-explanation of their predictions. In recent years, XAI researchers have been formalizing proposals and developing new measures to explain how these models make specific predictions. In previous studies, evidence has been found on how model (dataset and algorithm) complexity affects global explanations generated by XAI measures Ciu, Dalex, Eli5, Lofo, Shap and Skater, suggesting that there is room for the development of a new XAI measure that builds on the complexity of the model. Thus, this research proposes a measure called Explainable based on Item Response Theory - eXirt, which is capable of explaining tree-ensemble models by using the properties of Item Response Theory (IRT). For this purpose, a benchmark was created using 40 different datasets and 2 different algorithms (Random Forest and Gradient Boosting), thus generating 6 different explainability ranks using known XAI measures along with 1 data purity rank and 1 rank of the measure eXirt, amounting to 8 global ranks for each model, i.e., 640 ranks altogether. The results show that eXirt displayed different ranks than those of the other measures, which demonstrates that the advocated methodology generates global explanations of tree-ensemble models that have not yet been explored, either for the more difficult models to explain or even the easier ones.

We propose Dense FixMatch, a simple method for online semi-supervised learning of dense and structured prediction tasks combining pseudo-labeling and consistency regularization via strong data augmentation. We enable the application of FixMatch in semi-supervised learning problems beyond image classification by adding a matching operation on the pseudo-labels. This allows us to still use the full strength of data augmentation pipelines, including geometric transformations. We evaluate it on semi-supervised semantic segmentation on Cityscapes and Pascal VOC with different percentages of labeled data and ablate design choices and hyper-parameters. Dense FixMatch significantly improves results compared to supervised learning using only labeled data, approaching its performance with 1/4 of the labeled samples.

We consider Contextual Bandits with Concave Rewards (CBCR), a multi-objective bandit problem where the desired trade-off between the rewards is defined by a known concave objective function, and the reward vector depends on an observed stochastic context. We present the first algorithm with provably vanishing regret for CBCR without restrictions on the policy space, whereas prior works were restricted to finite policy spaces or tabular representations. Our solution is based on a geometric interpretation of CBCR algorithms as optimization algorithms over the convex set of expected rewards spanned by all stochastic policies. Building on Frank-Wolfe analyses in constrained convex optimization, we derive a novel reduction from the CBCR regret to the regret of a scalar-reward bandit problem. We illustrate how to apply the reduction off-the-shelf to obtain algorithms for CBCR with both linear and general reward functions, in the case of non-combinatorial actions. Motivated by fairness in recommendation, we describe a special case of CBCR with rankings and fairness-aware objectives, leading to the first algorithm with regret guarantees for contextual combinatorial bandits with fairness of exposure.

Artificial neural networks (ANNs) are known to be powerful methods for many hard problems (e.g. image classification, speech recognition or time series prediction). However, these models tend to produce black-box results and are often difficult to interpret. Layer-wise relevance propagation (LRP) is a widely used technique to understand how ANN models come to their conclusion and to understand what a model has learned. Here, we focus on Echo State Networks (ESNs) as a certain type of recurrent neural networks, also known as reservoir computing. ESNs are easy to train and only require a small number of trainable parameters, but are still black-box models. We show how LRP can be applied to ESNs in order to open the black-box. We also show how ESNs can be used not only for time series prediction but also for image classification: Our ESN model serves as a detector for El Nino Southern Oscillation (ENSO) from sea surface temperature anomalies. ENSO is actually a well-known problem and has been extensively discussed before. But here we use this simple problem to demonstrate how LRP can significantly enhance the explainablility of ESNs.

Despite the recent advancement in multi-agent reinforcement learning (MARL), the MARL agents easily overfit the training environment and perform poorly in the evaluation scenarios where other agents behave differently. Obtaining generalizable policies for MARL agents is thus necessary but challenging mainly due to complex multi-agent interactions. In this work, we model the problem with Markov Games and propose a simple yet effective method, ranked policy memory (RPM), to collect diverse multi-agent trajectories for training MARL policies with good generalizability. The main idea of RPM is to maintain a look-up memory of policies. In particular, we try to acquire various levels of behaviors by saving policies via ranking the training episode return, i.e., the episode return of agents in the training environment; when an episode starts, the learning agent can then choose a policy from the RPM as the behavior policy. This innovative self-play training framework leverages agents' past policies and guarantees the diversity of multi-agent interaction in the training data. We implement RPM on top of MARL algorithms and conduct extensive experiments on Melting Pot. It has been demonstrated that RPM enables MARL agents to interact with unseen agents in multi-agent generalization evaluation scenarios and complete given tasks, and it significantly boosts the performance up to 402% on average.

In computational histopathology algorithms now outperform humans on a range of tasks, but to date none are employed for automated diagnoses in the clinic. Before algorithms can be involved in such high-stakes decisions they need to "know when they don't know", i.e., they need to estimate their predictive uncertainty. This allows them to defer potentially erroneous predictions to a human pathologist, thus increasing their safety. Here, we evaluate the predictive performance and calibration of several uncertainty estimation methods on clinical histopathology data. We show that a distance-aware uncertainty estimation method outperforms commonly used approaches, such as Monte Carlo dropout and deep ensembles. However, we observe a drop in predictive performance and calibration on novel samples across all uncertainty estimation methods tested. We also investigate the use of uncertainty thresholding to reject out-of-distribution samples for selective prediction. We demonstrate the limitations of this approach and suggest areas for future research.

Complex high-dimensional co-occurrence data are increasingly popular from a complex system of interacting physical, biological and social processes in discretely indexed modifiable areal units or continuously indexed locations of a study region for landscape-based mechanism. Modeling, predicting and interpreting complex co-occurrences are very general and fundamental problems of statistical and machine learning in a broad variety of real-world modern applications. Probability and conditional probability of co-occurrence are introduced by being defined in a general setting with set functions to develop a rigorous measure-theoretic foundation for the inherent challenge of data sparseness. The data sparseness is a main challenge inherent to probabilistic modeling and reasoning of co-occurrence in statistical inference. The behavior of a class of natural integrals called E-integrals is investigated based on the defined conditional probability of co-occurrence. The results on the properties of E-integral are presented. The paper offers a novel measure-theoretic framework where E-integral as a basic measure-theoretic concept can be the starting point for the expectation functional approach preferred by Whittle (1992) and Pollard (2001) to the development of probability theory for the inherent challenge of co-occurrences emerging in modern high-dimensional co-occurrence data problems and opens the doors to more sophisticated and interesting research in complex high-dimensional co-occurrence data science.

To limit global warming to pre-industrial levels, global governments, industry and academia are taking aggressive efforts to reduce carbon emissions. The evaluation of anthropogenic carbon dioxide (CO$_2$) emissions, however, depends on the self-reporting information that is not always reliable. Society need to develop an objective, independent, and generalized system to meter CO$_2$ emissions. Satellite CO$_2$ observation from space that reports column-average regional CO$_2$ dry-air mole fractions has gradually indicated its potential to build such a system. Nevertheless, estimating anthropogenic CO$_2$ emissions from CO$_2$ observing satellite is bottlenecked by the influence of the highly complicated physical characteristics of atmospheric activities. Here we provide the first method that combines the advanced artificial intelligence (AI) techniques and the carbon satellite monitor to quantify anthropogenic CO$_2$ emissions. We propose an integral AI based pipeline that contains both a data retrieval algorithm and a two-step data-driven solution. First, the data retrieval algorithm can generate effective datasets from multi-modal data including carbon satellite, the information of carbon sources, and several environmental factors. Second, the two-step data-driven solution that applies the powerful representation of deep learning techniques to learn to quantify anthropogenic CO$_2$ emissions from satellite CO$_2$ observation with other factors. Our work unmasks the potential of quantifying CO$_2$ emissions based on the combination of deep learning algorithms and the carbon satellite monitor.

In this paper, we describe a universal method for extracting the underlying monotonic trend factor from time series data. We propose an approach related to the Mann-Kendall test, a standard monotonic trend detection method and call it contrastive trend estimation (CTE). We show that the CTE method identifies any hidden trend underlying temporal data while avoiding the standard assumptions used for monotonic trend identification. In particular, CTE can take any type of temporal data (vector, images, graphs, time series, etc.) as input. We finally illustrate the interest of our CTE method through several experiments on different types of data and problems.

Extracting useful information from the user history to clearly understand informational needs is a crucial feature of a proactive information retrieval system. Regarding understanding information and relevance, Wikipedia can provide the background knowledge that an intelligent system needs. This work explores how exploiting the context of a query using Wikipedia concepts can improve proactive information retrieval on noisy text. We formulate two models that use entity linking to associate Wikipedia topics with the relevance model. Our experiments around a podcast segment retrieval task demonstrate that there is a clear signal of relevance in Wikipedia concepts while a ranking model can improve precision by incorporating them. We also find Wikifying the background context of a query can help disambiguate the meaning of the query, further helping proactive information retrieval.

We study policy optimization for Markov decision processes (MDPs) with multiple reward value functions, which are to be jointly optimized according to given criteria such as proportional fairness (smooth concave scalarization), hard constraints (constrained MDP), and max-min trade-off. We propose an Anchor-changing Regularized Natural Policy Gradient (ARNPG) framework, which can systematically incorporate ideas from well-performing first-order methods into the design of policy optimization algorithms for multi-objective MDP problems. Theoretically, the designed algorithms based on the ARNPG framework achieve $\tilde{O}(1/T)$ global convergence with exact gradients. Empirically, the ARNPG-guided algorithms also demonstrate superior performance compared to some existing policy gradient-based approaches in both exact gradients and sample-based scenarios.

We consider off-policy policy evaluation with function approximation (FA) in average-reward MDPs, where the goal is to estimate both the reward rate and the differential value function. For this problem, bootstrapping is necessary and, along with off-policy learning and FA, results in the deadly triad (Sutton & Barto, 2018). To address the deadly triad, we propose two novel algorithms, reproducing the celebrated success of Gradient TD algorithms in the average-reward setting. In terms of estimating the differential value function, the algorithms are the first convergent off-policy linear function approximation algorithms. In terms of estimating the reward rate, the algorithms are the first convergent off-policy linear function approximation algorithms that do not require estimating the density ratio. We demonstrate empirically the advantage of the proposed algorithms, as well as their nonlinear variants, over a competitive density-ratio-based approach, in a simple domain as well as challenging robot simulation tasks.

In recent years fully-parametric fast simulation methods based on generative models have been proposed for a variety of high-energy physics detectors. By their nature, the quality of data-driven models degrades in the regions of the phase space where the data are sparse. Since machine-learning models are hard to analyse from the physical principles, the commonly used testing procedures are performed in a data-driven way and can't be reliably used in such regions. In our work we propose three methods to estimate the uncertainty of generative models inside and outside of the training phase space region, along with data-driven calibration techniques. A test of the proposed methods on the LHCb RICH fast simulation is also presented.

We extend our recently proposed Deep Learning-aided many-body dispersion (DNN-MBD) model to quadrupole polarizability (Q) terms using a generalized Random Phase Approximation (RPA) formalism enabling to include van der Waals contributions beyond dipole. The resulting DNN-MBDQ model only relies on ab initio-derived quantities as the introduced quadrupole polarizabilities are recursively retrieved from dipole ones, in turn modelled via the Tkatchenko-Scheffler method. A transferable and efficient deep-neuronal network (DNN) provides atom in molecule volumes, while a single range-separation parameter is used to couple the model to Density Functional Theory (DFT). Since it can be computed at negligible cost, the DNN-MBDQ approach can be coupled with DFT functionals such as as PBE/PBE0 or B86bPBE(dispersionless). DNN-MBQ-PBE/PBE0 reaches chemical accuracy exhibiting superior accuracy compared to other dispersion-corrected models, especially at near-equilibrium ranges where errors are lowered by nearly 25% compared to our dipole-only approach while gains reach nearly 50% compared to other corrected schemes.

The fundamental principle of Graph Neural Networks (GNNs) is to exploit the structural information of the data by aggregating the neighboring nodes using a graph convolution. Therefore, understanding its influence on the network performance is crucial. Convolutions based on graph Laplacian have emerged as the dominant choice with the symmetric normalization of the adjacency matrix $A$, defined as $D^{-1/2}AD^{-1/2}$, being the most widely adopted one, where $D$ is the degree matrix. However, some empirical studies show that row normalization $D^{-1}A$ outperforms it in node classification. Despite the widespread use of GNNs, there is no rigorous theoretical study on the representation power of these convolution operators, that could explain this behavior. In this work, we analyze the influence of the graph convolutions theoretically using Graph Neural Tangent Kernel in a semi-supervised node classification setting. Under a Degree Corrected Stochastic Block Model, we prove that: (i) row normalization preserves the underlying class structure better than other convolutions; (ii) performance degrades with network depth due to over-smoothing, but the loss in class information is the slowest in row normalization; (iii) skip connections retain the class information even at infinite depth, thereby eliminating over-smoothing. We finally validate our theoretical findings on real datasets.

Identifying unfamiliar inputs, also known as out-of-distribution (OOD) detection, is a crucial property of any decision making process. A simple and empirically validated technique is based on deep ensembles where the variance of predictions over different neural networks acts as a substitute for input uncertainty. Nevertheless, a theoretical understanding of the inductive biases leading to the performance of deep ensemble's uncertainty estimation is missing. To improve our description of their behavior, we study deep ensembles with large layer widths operating in simplified linear training regimes, in which the functions trained with gradient descent can be described by the neural tangent kernel. We identify two sources of noise, each inducing a distinct inductive bias in the predictive variance at initialization. We further show theoretically and empirically that both noise sources affect the predictive variance of non-linear deep ensembles in toy models and realistic settings after training. Finally, we propose practical ways to eliminate part of these noise sources leading to significant changes and improved OOD detection in trained deep ensembles.

Eye movements are known to reflect cognitive processes in reading, and psychological reading research has shown that eye gaze patterns differ between readers with and without dyslexia. In recent years, researchers have attempted to classify readers with dyslexia based on their eye movements using Support Vector Machines (SVMs). However, these approaches (i) are based on highly aggregated features averaged over all words read by a participant, thus disregarding the sequential nature of the eye movements, and (ii) do not consider the linguistic stimulus and its interaction with the reader's eye movements. In the present work, we propose two simple sequence models that process eye movements on the entire stimulus without the need of aggregating features across the sentence. Additionally, we incorporate the linguistic stimulus into the model in two ways -- contextualized word embeddings and manually extracted linguistic features. The models are evaluated on a Mandarin Chinese dataset containing eye movements from children with and without dyslexia. Our results show that (i) even for a logographic script such as Chinese, sequence models are able to classify dyslexia on eye gaze sequences, reaching state-of-the-art performance, and (ii) incorporating the linguistic stimulus does not help to improve classification performance.

Comprehensive robustness analysis of PECNet, a pedestrian trajectory prediction system for autonomous vehicles. A novel metric is introduced for dataset analysis and classification. Synthetic data augmentation techniques ranging from Newtonian mechanics to Deep Reinforcement Learning based simulations are used to improve and test the system. An improvement of 9.5% over state-of-the-art results is seen on the FDE while compromising ADE. We introduce novel architectural changes using SIRENs for higher precision results to validate our robustness hypotheses. Additionally, we diagrammatically propose a novel multi-modal system for the same task.

Transposed convolution is crucial for generating high-resolution outputs, yet has received little attention compared to convolution layers. In this work we revisit transposed convolution and introduce a novel layer that allows us to place information in the image selectively and choose the `stroke breadth' at which the image is synthesized, whilst incurring a small additional parameter cost. For this we introduce three ideas: firstly, we regress offsets to the positions where the transpose convolution results are placed; secondly we broadcast the offset weight locations over a learnable neighborhood; and thirdly we use a compact parametrization to share weights and restrict offsets. We show that simply substituting upsampling operators with our novel layer produces substantial improvements across tasks as diverse as instance segmentation, object detection, semantic segmentation, generative image modeling, and 3D magnetic resonance image enhancement, while outperforming all existing variants of transposed convolutions. Our novel layer can be used as a drop-in replacement for 2D and 3D upsampling operators and the code will be publicly available.

Recently, diffusion models have been proven to perform remarkably well in text-to-image synthesis tasks in a number of studies, immediately presenting new study opportunities for image generation. Google's Imagen follows this research trend and outperforms DALLE2 as the best model for text-to-image generation. However, Imagen merely uses a T5 language model for text processing, which cannot ensure learning the semantic information of the text. Furthermore, the Efficient UNet leveraged by Imagen is not the best choice in image processing. To address these issues, we propose the Swinv2-Imagen, a novel text-to-image diffusion model based on a Hierarchical Visual Transformer and a Scene Graph incorporating a semantic layout. In the proposed model, the feature vectors of entities and relationships are extracted and involved in the diffusion model, effectively improving the quality of generated images. On top of that, we also introduce a Swin-Transformer-based UNet architecture, called Swinv2-Unet, which can address the problems stemming from the CNN convolution operations. Extensive experiments are conducted to evaluate the performance of the proposed model by using three real-world datasets, i.e., MSCOCO, CUB and MM-CelebA-HQ. The experimental results show that the proposed Swinv2-Imagen model outperforms several popular state-of-the-art methods.

Graph anomaly detection in this paper aims to distinguish abnormal nodes that behave differently from the benign ones accounting for the majority of graph-structured instances. Receiving increasing attention from both academia and industry, yet existing research on this task still suffers from two critical issues when learning informative anomalous behavior from graph data. For one thing, anomalies are usually hard to capture because of their subtle abnormal behavior and the shortage of background knowledge about them, which causes severe anomalous sample scarcity. Meanwhile, the overwhelming majority of objects in real-world graphs are normal, bringing the class imbalance problem as well. To bridge the gaps, this paper devises a novel Data Augmentation-based Graph Anomaly Detection (DAGAD) framework for attributed graphs, equipped with three specially designed modules: 1) an information fusion module employing graph neural network encoders to learn representations, 2) a graph data augmentation module that fertilizes the training set with generated samples, and 3) an imbalance-tailored learning module to discriminate the distributions of the minority (anomalous) and majority (normal) classes. A series of experiments on three datasets prove that DAGAD outperforms ten state-of-the-art baseline detectors concerning various mostly-used metrics, together with an extensive ablation study validating the strength of our proposed modules.

In this paper, we propose an ensemble learning algorithm named \textit{bagged $k$-distance for mode-based clustering} (\textit{BDMBC}) by putting forward a new measurement called the \textit{probability of localized level sets} (\textit{PLLS}), which enables us to find all clusters for varying densities with a global threshold. On the theoretical side, we show that with a properly chosen number of nearest neighbors $k_D$ in the bagged $k$-distance, the sub-sample size $s$, the bagging rounds $B$, and the number of nearest neighbors $k_L$ for the localized level sets, BDMBC can achieve optimal convergence rates for mode estimation. It turns out that with a relatively small $B$, the sub-sample size $s$ can be much smaller than the number of training data $n$ at each bagging round, and the number of nearest neighbors $k_D$ can be reduced simultaneously. Moreover, we establish optimal convergence results for the level set estimation of the PLLS in terms of Hausdorff distance, which reveals that BDMBC can find localized level sets for varying densities and thus enjoys local adaptivity. On the practical side, we conduct numerical experiments to empirically verify the effectiveness of BDMBC for mode estimation and level set estimation, which demonstrates the promising accuracy and efficiency of our proposed algorithm.

Educational games are an increasingly popular teaching tool in modern classrooms. However, the development of complementary tools for teachers facilitating classroom gameplay is lacking. We present the results of a participatory design process for a teacher-facing, real-time game data dashboard. This two-phase process included a workshop to elicit teachers' requirements for such a tool, and a pilot study of our dashboard prototype. We analyze post-gameplay survey and interview data to understand teachers' experiences with the tool in terms of evidence of co-design, feasibility, and effectiveness. Our results indicate the participatory design yielded a tool both useful for and usable by teachers within the context of a real class gameplay session. We advocate for the continued development of data-driven teacher tools to improve the effectiveness of games deployed in the classroom.

Nowadays, differential privacy (DP) has become a well-accepted standard for privacy protection, and deep neural networks (DNN) have been immensely successful in machine learning. The combination of these two techniques, i.e., deep learning with differential privacy, promises the privacy-preserving release of high-utility models trained with sensitive data such as medical records. A classic mechanism for this purpose is DP-SGD, which is a differentially private version of the stochastic gradient descent (SGD) optimizer commonly used for DNN training. Subsequent approaches have improved various aspects of the model training process, including noise decay schedule, model architecture, feature engineering, and hyperparameter tuning. However, the core mechanism for enforcing DP in the SGD optimizer remains unchanged ever since the original DP-SGD algorithm, which has increasingly become a fundamental barrier limiting the performance of DP-compliant machine learning solutions. Motivated by this, we propose DPIS, a novel mechanism for differentially private SGD training that can be used as a drop-in replacement of the core optimizer of DP-SGD, with consistent and significant accuracy gains over the latter. The main idea is to employ importance sampling (IS) in each SGD iteration for mini-batch selection, which reduces both sampling variance and the amount of random noise injected to the gradients that is required to satisfy DP. Integrating IS into the complex mathematical machinery of DP-SGD is highly non-trivial. DPIS addresses the challenge through novel mechanism designs, fine-grained privacy analysis, efficiency enhancements, and an adaptive gradient clipping optimization. Extensive experiments on four benchmark datasets, namely MNIST, FMNIST, CIFAR-10 and IMDb, demonstrate the superior effectiveness of DPIS over existing solutions for deep learning with differential privacy.

This article presents a novel telepresence system for advancing aerial manipulation in dynamic and unstructured environments. The proposed system not only features a haptic device, but also a virtual reality (VR) interface that provides real-time 3D displays of the robot's workspace as well as a haptic guidance to its remotely located operator. To realize this, multiple sensors namely a LiDAR, cameras and IMUs are utilized. For processing of the acquired sensory data, pose estimation pipelines are devised for industrial objects of both known and unknown geometries. We further propose an active learning pipeline in order to increase the sample efficiency of a pipeline component that relies on Deep Neural Networks (DNNs) based object detection. All these algorithms jointly address various challenges encountered during the execution of perception tasks in industrial scenarios. In the experiments, exhaustive ablation studies are provided to validate the proposed pipelines. Methodologically, these results commonly suggest how an awareness of the algorithms' own failures and uncertainty ("introspection") can be used tackle the encountered problems. Moreover, outdoor experiments are conducted to evaluate the effectiveness of the overall system in enhancing aerial manipulation capabilities. In particular, with flight campaigns over days and nights, from spring to winter, and with different users and locations, we demonstrate over 70 robust executions of pick-and-place, force application and peg-in-hole tasks with the DLR cable-Suspended Aerial Manipulator (SAM). As a result, we show the viability of the proposed system in future industrial applications.

We demonstrate the first large-scale application of model-based generative adversarial imitation learning (MGAIL) to the task of dense urban self-driving. We augment standard MGAIL using a hierarchical model to enable generalization to arbitrary goal routes, and measure performance using a closed-loop evaluation framework with simulated interactive agents. We train policies from expert trajectories collected from real vehicles driving over 100,000 miles in San Francisco, and demonstrate a steerable policy that can navigate robustly even in a zero-shot setting, generalizing to synthetic scenarios with novel goals that never occurred in real-world driving. We also demonstrate the importance of mixing closed-loop MGAIL losses with open-loop behavior cloning losses, and show our best policy approaches the performance of the expert. We evaluate our imitative model in both average and challenging scenarios, and show how it can serve as a useful prior to plan successful trajectories.

Vision Transformers (ViTs) have achieved state-of-the-art performance on various vision tasks. However, ViTs' self-attention module is still arguably a major bottleneck, limiting their achievable hardware efficiency. Meanwhile, existing accelerators dedicated to NLP Transformers are not optimal for ViTs. This is because there is a large difference between ViTs and NLP Transformers: ViTs have a relatively fixed number of input tokens, whose attention maps can be pruned by up to 90% even with fixed sparse patterns; while NLP Transformers need to handle input sequences of varying numbers of tokens and rely on on-the-fly predictions of dynamic sparse attention patterns for each input to achieve a decent sparsity (e.g., >=50%). To this end, we propose a dedicated algorithm and accelerator co-design framework dubbed ViTCoD for accelerating ViTs. Specifically, on the algorithm level, ViTCoD prunes and polarizes the attention maps to have either denser or sparser fixed patterns for regularizing two levels of workloads without hurting the accuracy, largely reducing the attention computations while leaving room for alleviating the remaining dominant data movements; on top of that, we further integrate a lightweight and learnable auto-encoder module to enable trading the dominant high-cost data movements for lower-cost computations. On the hardware level, we develop a dedicated accelerator to simultaneously coordinate the enforced denser/sparser workloads and encoder/decoder engines for boosted hardware utilization. Extensive experiments and ablation studies validate that ViTCoD largely reduces the dominant data movement costs, achieving speedups of up to 235.3x, 142.9x, 86.0x, 10.1x, and 6.8x over general computing platforms CPUs, EdgeGPUs, GPUs, and prior-art Transformer accelerators SpAtten and Sanger under an attention sparsity of 90%, respectively.

Supervised transfer learning (TL) has received considerable attention because of its potential to boost the predictive power of machine learning in cases with limited data. In a conventional scenario, cross-domain differences are modeled and estimated using a given set of source models and samples from a target domain. For example, if there is a functional relationship between source and target domains, only domain-specific factors are additionally learned using target samples to shift the source models to the target. However, the general methodology for modeling and estimating such cross-domain shifts has been less studied. This study presents a TL framework that simultaneously and separately estimates domain shifts and domain-specific factors using given target samples. Assuming consistency and invertibility of the domain transformation functions, we derive an optimal family of functions to represent the cross-domain shift. The newly derived class of transformation functions takes the same form as invertible neural networks using affine coupling layers, which are widely used in generative deep learning. We show that the proposed method encompasses a wide range of existing methods, including the most common TL procedure based on feature extraction using neural networks. We also clarify the theoretical properties of the proposed method, such as the convergence rate of the generalization error, and demonstrate the practical benefits of separately modeling and estimating domain-specific factors through several case studies.

In the recent paper FLECS (Agafonov et al, FLECS: A Federated Learning Second-Order Framework via Compression and Sketching), the second-order framework FLECS was proposed for the Federated Learning problem. This method utilize compression of sketched Hessians to make communication costs low. However, the main bottleneck of FLECS is gradient communication without compression. In this paper, we propose the modification of FLECS with compressed gradient differences, which we call FLECS-CGD (FLECS with Compressed Gradient Differences) and make it applicable for stochastic optimization. Convergence guarantees are provided in strongly convex and nonconvex cases. Experiments show the practical benefit of proposed approach.

Knowledge distillation is a popular machine learning technique that aims to transfer knowledge from a large 'teacher' network to a smaller 'student' network and improve the student's performance by training it to emulate the teacher. In recent years, there has been significant progress in novel distillation techniques that push performance frontiers across multiple problems and benchmarks. Most of the reported work focuses on achieving state-of-the-art results on the specific problem. However, there has been a significant gap in understanding the process and how it behaves under certain training scenarios. Similarly, transfer learning (TL) is an effective technique in training neural networks on a limited dataset faster by reusing representations learned from a different but related problem. Despite its effectiveness and popularity, there has not been much exploration of knowledge distillation on transfer learning. In this thesis, we propose a machine learning architecture we call TL+KD that combines knowledge distillation with transfer learning; we then present a quantitative and qualitative comparison of TL+KD with TL in the domain of image classification. Through this work, we show that using guidance and knowledge from a larger teacher network during fine-tuning, we can improve the student network to achieve better validation performances like accuracy. We characterize the improvement in the validation performance of the model using a variety of metrics beyond just accuracy scores, and study its performance in scenarios such as input degradation.

Data poisoning causes misclassification of test time target examples by injecting maliciously crafted samples in the training data. Existing defenses are often effective only against a specific type of targeted attack, significantly degrade the generalization performance, or are prohibitive for standard deep learning pipelines. In this work, we propose an efficient defense mechanism that significantly reduces the success rate of various data poisoning attacks, and provides theoretical guarantees for the performance of the model. Targeted attacks work by adding bounded perturbations to a randomly selected subset of training data to match the targets' gradient or representation. We show that: (i) under bounded perturbations, only a number of poisons can be optimized to have a gradient that is close enough to that of the target and make the attack successful; (ii) such effective poisons move away from their original class and get isolated in the gradient space; (iii) dropping examples in low-density gradient regions during training can successfully eliminate the effective poisons, and guarantees similar training dynamics to that of training on full data. Our extensive experiments show that our method significantly decreases the success rate of state-of-the-art targeted attacks, including Gradient Matching and Bullseye Polytope, and easily scales to large datasets.

As deep learning models nowadays are widely adopted by both cloud services and edge devices, the latency of deep learning model inferences becomes crucial to provide efficient model serving. However, it is challenging to develop efficient tensor programs for deep learning operators due to the high complexity of modern accelerators (e.g., NVIDIA GPUs and Google TPUs) and the rapidly growing number of operators. Deep learning compilers, such as Apache TVM, adopt declarative scheduling primitives to lower the bar of developing tensor programs. However, we show that this approach is insufficient to cover state-of-the-art tensor program optimizations (e.g., double buffering). In this paper, we propose to embed the scheduling process into tensor programs and use dedicated mappings, called task mappings, to define the computation assignment and ordering directly in the tensor programs. This new approach greatly enriches the expressible optimizations by allowing developers to manipulate tensor programs at a much finer granularity (e.g., allowing program statement-level optimizations). We call the proposed method the task-mapping-oriented programming paradigm. With the proposed paradigm, we implement a deep learning compiler - Hidet. Extensive experiments on modern convolution and transformer models show that Hidet outperforms state-of-the-art DNN inference framework, ONNX Runtime, and compiler, TVM equipped with scheduler AutoTVM and Ansor, by up to 1.48x (1.22x on average) with enriched optimizations. It also reduces the tuning time by 20x and 11x compared with AutoTVM and Ansor, respectively.

Recent GAN inversion models focus on preserving image-specific details through various methods, e.g., generator tuning or feature mixing. While those are helpful for preserving details compared to a naiive low-rate latent inversion, they still fail to maintain high-frequency features precisely. In this paper, we point out that the existing GAN inversion models have inherent limitations in both structural and training aspects, which preclude the delicate reconstruction of high-frequency features. Especially, we prove that the widely-used loss term in GAN inversion, i.e., L2, is biased to reconstruct low-frequency features mainly. To overcome this problem, we propose a novel GAN inversion model, coined WaGI, which enables to handle high-frequency features explicitly, by using a novel wavelet-based loss term and a newly proposed wavelet fusion scheme. To the best of our knowledge, WaGI is the first attempt to interpret GAN inversion in the frequency domain. We demonstrate that WaGI shows outstanding results on both inversion and editing, compared to the existing state-of-the-art GAN inversion models. Especially, WaGI robustly preserves high-frequency features of images even in the editing scenario. We will release our code with the pre-trained model after the review.

Convolutional neural networks (CNNs) have achieved impressive results on imbalanced image data, but they still have difficulty generalizing to minority classes and their decisions are difficult to interpret. These problems are related because the method by which CNNs generalize to minority classes, which requires improvement, is wrapped in a blackbox. To demystify CNN decisions on imbalanced data, we focus on their latent features. Although CNNs embed the pattern knowledge learned from a training set in model parameters, the effect of this knowledge is contained in feature and classification embeddings (FE and CE). These embeddings can be extracted from a trained model and their global, class properties (e.g., frequency, magnitude and identity) can be analyzed. We find that important information regarding the ability of a neural network to generalize to minority classes resides in the class top-K CE and FE. We show that a CNN learns a limited number of class top-K CE per category, and that their number and magnitudes vary based on whether the same class is balanced or imbalanced. This calls into question whether a CNN has learned intrinsic class features, or merely frequently occurring ones that happen to exist in the sampled class distribution. We also hypothesize that latent class diversity is as important as the number of class examples, which has important implications for re-sampling and cost-sensitive methods. These methods generally focus on rebalancing model weights, class numbers and margins; instead of diversifying class latent features through augmentation. We also demonstrate that a CNN has difficulty generalizing to test data if the magnitude of its top-K latent features do not match the training set. We use three popular image datasets and two cost-sensitive algorithms commonly employed in imbalanced learning for our experiments.

Mesh generation remains a key technology in many areas where numerical simulations are required. As numerical algorithms become more efficient and computers become more powerful, the percentage of time devoted to mesh generation becomes higher. In this paper, we present an improved structured mesh generation method. The method formulates the meshing problem as a global optimization problem related to a physics-informed neural network. The mesh is obtained by intelligently solving the physical boundary-constrained partial differential equations. To improve the prediction accuracy of the neural network, we also introduce a novel auxiliary line strategy and an efficient network model during meshing. The strategy first employs a priori auxiliary lines to provide ground truth data and then uses these data to construct a loss term to better constrain the convergence of the subsequent training. The experimental results indicate that the proposed method is effective and robust. It can accurately approximate the mapping (transformation) from the computational domain to the physical domain and enable fast high-quality structured mesh generation.

This paper studies 3D dense shape correspondence, a key shape analysis application in computer vision and graphics. We introduce a novel hybrid geometric deep learning-based model that learns geometrically meaningful and discretization-independent features with a U-Net model as the primary node feature extraction module, followed by a successive spectral-based graph convolutional network. To create a diverse set of filters, we use anisotropic wavelet basis filters, being sensitive to both different directions and band-passes. This filter set overcomes the over-smoothing behavior of conventional graph neural networks. To further improve the model's performance, we add a function that perturbs the feature maps in the last layer ahead of fully connected layers, forcing the network to learn more discriminative features overall. The resulting correspondence maps show state-of-the-art performance on the benchmark datasets based on average geodesic errors and superior robustness to discretization in 3D meshes. Our approach provides new insights and practical solutions to the dense shape correspondence research.

Clustering is one of the widely used techniques to find out patterns from a dataset that can be applied in different applications or analyses. K-means, the most popular and simple clustering algorithm, might get trapped into local minima if not properly initialized and the initialization of this algorithm is done randomly. In this paper, we propose a novel approach to improve initial cluster selection for K-means algorithm. This algorithm is based on the fact that the initial centroids must be well separated from each other since the final clusters are separated groups in feature space. The Convex Hull algorithm facilitates the computing of the first two centroids and the remaining ones are selected according to the distance from previously selected centers. To ensure the selection of one center per cluster, we use the nearest neighbor technique. To check the robustness of our proposed algorithm, we consider several real-world datasets. We obtained only 7.33%, 7.90%, and 0% clustering error in Iris, Letter, and Ruspini data respectively which proves better performance than other existing systems. The results indicate that our proposed method outperforms the conventional K means approach by accelerating the computation when the number of clusters is greater than 2.

Synthetic data generation has become an emerging tool to help improve the adversarial robustness in classification tasks since robust learning requires a significantly larger amount of training samples compared with standard classification tasks. Among various deep generative models, the diffusion model has been shown to produce high-quality synthetic images and has achieved good performance in improving the adversarial robustness. However, diffusion-type methods are typically slow in data generation as compared with other generative models. Although different acceleration techniques have been proposed recently, it is also of great importance to study how to improve the sample efficiency of generated data for the downstream task. In this paper, we first analyze the optimality condition of synthetic distribution for achieving non-trivial robust accuracy. We show that enhancing the distinguishability among the generated data is critical for improving adversarial robustness. Thus, we propose the Contrastive-Guided Diffusion Process (Contrastive-DP), which adopts the contrastive loss to guide the diffusion model in data generation. We verify our theoretical results using simulations and demonstrate the good performance of Contrastive-DP on image datasets.

Time series anomaly detection is a challenging problem due to the complex temporal dependencies and the limited label data. Although some algorithms including both traditional and deep models have been proposed, most of them mainly focus on time-domain modeling, and do not fully utilize the information in the frequency domain of the time series data. In this paper, we propose a Time-Frequency analysis based time series Anomaly Detection model, or TFAD for short, to exploit both time and frequency domains for performance improvement. Besides, we incorporate time series decomposition and data augmentation mechanisms in the designed time-frequency architecture to further boost the abilities of performance and interpretability. Empirical studies on widely used benchmark datasets show that our approach obtains state-of-the-art performance in univariate and multivariate time series anomaly detection tasks. Code is provided at https://github.com/DAMO-DI-ML/CIKM22-TFAD.

Simultaneous localization and mapping (SLAM) is a method that constructs a map of an unknown environment and localizes the position of a moving agent on the map simultaneously. Extended Kalman filter (EKF) has been widely adopted as a low complexity solution for online SLAM, which relies on a motion and measurement model of the moving agent. In practice, however, acquiring precise information about these models is very challenging, and the model mismatch effect causes severe performance loss in SLAM. In this paper, inspired by the recently proposed KalmanNet, we present a robust EKF algorithm using the power of deep learning for online SLAM, referred to as Split-KalmanNet. The key idea of Split-KalmanNet is to compute the Kalman gain using the Jacobian matrix of a measurement function and two recurrent neural networks (RNNs). The two RNNs independently learn the covariance matrices for a prior state estimate and the innovation from data. The proposed split structure in the computation of the Kalman gain allows to compensate for state and measurement model mismatch effects independently. Numerical simulation results verify that Split-KalmanNet outperforms the traditional EKF and the state-of-the-art KalmanNet algorithm in various model mismatch scenarios.

Fair classification aims to stress the classification models to achieve the equality (treatment or prediction quality) among different sensitive groups. However, fair classification can be under the risk of poisoning attacks that deliberately insert malicious training samples to manipulate the trained classifiers' performance. In this work, we study the poisoning scenario where the attacker can insert a small fraction of samples into training data, with arbitrary sensitive attributes as well as other predictive features. We demonstrate that the fairly trained classifiers can be greatly vulnerable to such poisoning attacks, with much worse accuracy & fairness trade-off, even when we apply some of the most effective defenses (originally proposed to defend traditional classification tasks). As countermeasures to defend fair classification tasks, we propose a general and theoretically guaranteed framework which accommodates traditional defense methods to fair classification against poisoning attacks. Through extensive experiments, the results validate that the proposed defense framework obtains better robustness in terms of accuracy and fairness than representative baseline methods.

Adaptive gradient algorithms borrow the moving average idea of heavy ball acceleration to estimate accurate first- and second-order moments of gradient for accelerating convergence. However, Nesterov acceleration which converges faster than heavy ball acceleration in theory and also in many empirical cases is much less investigated under the adaptive gradient setting. In this work, we propose the ADAptive Nesterov momentum algorithm, Adan for short, to speed up the training of deep neural networks effectively. Adan first reformulates the vanilla Nesterov acceleration to develop a new Nesterov momentum estimation (NME) method, which avoids the extra computation and memory overhead of computing gradient at the extrapolation point. Then Adan adopts NME to estimate the first- and second-order moments of the gradient in adaptive gradient algorithms for convergence acceleration. Besides, we prove that Adan finds an $\epsilon$-approximate first-order stationary point within $O(\epsilon^{-3.5})$ stochastic gradient complexity on the nonconvex stochastic problems (e.g., deep learning problems), matching the best-known lower bound. Extensive experimental results show that Adan surpasses the corresponding SoTA optimizers on both vision transformers (ViTs) and CNNs, and sets new SoTAs for many popular networks, e.g., ResNet, ConvNext, ViT, Swin, MAE, LSTM, Transformer-XL, and BERT. More surprisingly, Adan can use half of the training cost (epochs) of SoTA optimizers to achieve higher or comparable performance on ViT and ResNet, e.t.c., and also shows great tolerance to a large range of minibatch size, e.g., from 1k to 32k. We hope Adan can contribute to the development of deep learning by reducing training cost and relieving engineering burden of trying different optimizers on various architectures. Code is released at https://github.com/sail-sg/Adan.

We propose a novel formulation of the triplet objective function that improves metric learning without additional sample mining or overhead costs. Our approach aims to explicitly regularize the distance between the positive and negative samples in a triplet with respect to the anchor-negative distance. As an initial validation, we show that our method (called No Pairs Left Behind [NPLB]) improves upon the traditional and current state-of-the-art triplet objective formulations on standard benchmark datasets. To show the effectiveness and potentials of NPLB on real-world complex data, we evaluate our approach on a large-scale healthcare dataset (UK Biobank), demonstrating that the embeddings learned by our model significantly outperform all other current representations on tested downstream tasks. Additionally, we provide a new model-agnostic single-time health risk definition that, when used in tandem with the learned representations, achieves the most accurate prediction of subjects' future health complications. Our results indicate that NPLB is a simple, yet effective framework for improving existing deep metric learning models, showcasing the potential implications of metric learning in more complex applications, especially in the biological and healthcare domains.

Bayesian Additive Regression Trees (BART) is a popular Bayesian non-parametric regression algorithm. The posterior is a distribution over sums of decision trees, and predictions are made by averaging approximate samples from the posterior. The combination of strong predictive performance and the ability to provide uncertainty measures has led BART to be commonly used in the social sciences, biostatistics, and causal inference. BART uses Markov Chain Monte Carlo (MCMC) to obtain approximate posterior samples over a parameterized space of sums of trees, but it has often been observed that the chains are slow to mix. In this paper, we provide the first lower bound on the mixing time for a simplified version of BART in which we reduce the sum to a single tree and use a subset of the possible moves for the MCMC proposal distribution. Our lower bound for the mixing time grows exponentially with the number of data points. Inspired by this new connection between the mixing time and the number of data points, we perform rigorous simulations on BART. We show qualitatively that BART's mixing time increases with the number of data points. The slow mixing time of the simplified BART suggests a large variation between different runs of the simplified BART algorithm and a similar large variation is known for BART in the literature. This large variation could result in a lack of stability in the models, predictions, and posterior intervals obtained from the BART MCMC samples. Our lower bound and simulations suggest increasing the number of chains with the number of data points.

Recent advances in generative models for language have enabled the creation of convincing synthetic text or deepfake text. Prior work has demonstrated the potential for misuse of deepfake text to mislead content consumers. Therefore, deepfake text detection, the task of discriminating between human and machine-generated text, is becoming increasingly critical. Several defenses have been proposed for deepfake text detection. However, we lack a thorough understanding of their real-world applicability. In this paper, we collect deepfake text from 4 online services powered by Transformer-based tools to evaluate the generalization ability of the defenses on content in the wild. We develop several low-cost adversarial attacks, and investigate the robustness of existing defenses against an adaptive attacker. We find that many defenses show significant degradation in performance under our evaluation scenarios compared to their original claimed performance. Our evaluation shows that tapping into the semantic information in the text content is a promising approach for improving the robustness and generalization performance of deepfake text detection schemes.

Feature-level interactions between nodes can carry crucial information for understanding complex interactions in graph-structured data. Current interpretability techniques, however, are limited in their ability to capture feature-level interactions between different nodes. In this work, we propose AMPNet, a general Graph Neural Network (GNN) architecture for uncovering feature-level interactions between different spatial locations within graph-structured data. Our framework applies a multiheaded attention operation during message-passing to contextualize messages based on the feature interactions between different nodes. We evaluate AMPNet on several benchmark and real-world datasets, and develop a synthetic benchmark based on cyclic cellular automata to test the ability of our framework to recover cyclic patterns in node states based on feature-interactions. We also propose several methods for addressing the scalability of our architecture to large graphs, including subgraph sampling during training and node feature downsampling.

Estimating age from a single speech is a classic and challenging topic. Although Label Distribution Learning (LDL) can represent adjacent indistinguishable ages well, the uncertainty of the age estimate for each utterance varies from person to person, i.e., the variance of the age distribution is different. To address this issue, we propose selective variance label distribution learning (SVLDL) method to adapt the variance of different age distributions. Furthermore, the model uses WavLM as the speech feature extractor and adds the auxiliary task of gender recognition to further improve the performance. Two tricks are applied on the loss function to enhance the robustness of the age estimation and improve the quality of the fitted age distribution. Extensive experiments show that the model achieves state-of-the-art performance on all aspects of the NIST SRE08-10 and a real-world datasets.

We prove an impossibility result, which in the context of function learning says the following: under certain conditions, it is impossible to simultaneously learn symmetries and functions equivariant under them using an ansatz consisting of equivariant functions. To formalize this statement, we carefully study notions of approximation for groups and semigroups. We analyze certain families of neural networks for whether they satisfy the conditions of the impossibility result: what we call ``linearly equivariant'' networks, and group-convolutional networks. A lot can be said precisely about linearly equivariant networks, making them theoretically useful. On the practical side, our analysis of group-convolutional neural networks allows us generalize the well-known ``convolution is all you need'' theorem to non-homogeneous spaces. We additionally find an important difference between group convolution and semigroup convolution.

Imitation learning is a class of promising policy learning algorithms that is free from many practical issues with reinforcement learning, such as the reward design issue and the exploration hardness. However, the current imitation algorithm struggles to achieve both high performance and high in-environment sample efficiency simultaneously. Behavioral Cloning (BC) does not need in-environment interactions, but it suffers from the covariate shift problem which harms its performance. Adversarial Imitation Learning (AIL) turns imitation learning into a distribution matching problem. It can achieve better performance on some tasks but it requires a large number of in-environment interactions. Inspired by the recent success of EfficientZero in RL, we propose EfficientImitate (EI), a planning-based imitation learning method that can achieve high in-environment sample efficiency and performance simultaneously. Our algorithmic contribution in this paper is two-fold. First, we extend AIL into the MCTS-based RL. Second, we show the seemingly incompatible two classes of imitation algorithms (BC and AIL) can be naturally unified under our framework, enjoying the benefits of both. We benchmark our method not only on the state-based DeepMind Control Suite, but also on the image version which many previous works find highly challenging. Experimental results show that EI achieves state-of-the-art results in performance and sample efficiency. EI shows over 4x gain in performance in the limited sample setting on state-based and image-based tasks and can solve challenging problems like Humanoid, where previous methods fail with small amount of interactions. Our code is available at https://github.com/zhaohengyin/EfficientImitate.

Efficient quantum control is necessary for practical quantum computing implementations with current technologies. Conventional algorithms for determining optimal control parameters are computationally expensive, largely excluding them from use outside of the simulation. Existing hardware solutions structured as lookup tables are imprecise and costly. By designing a machine learning model to approximate the results of traditional tools, a more efficient method can be produced. Such a model can then be synthesized into a hardware accelerator for use in quantum systems. In this study, we demonstrate a machine learning algorithm for predicting optimal pulse parameters. This algorithm is lightweight enough to fit on a low-resource FPGA and perform inference with a latency of 175 ns and pipeline interval of 5 ns with $~>~$0.99 gate fidelity. In the long term, such an accelerator could be used near quantum computing hardware where traditional computers cannot operate, enabling quantum control at a reasonable cost at low latencies without incurring large data bandwidths outside of the cryogenic environment.

Modern high-scoring models of vision in the brain score competition do not stem from Vision Transformers. However, in this paper, we provide evidence against the unexpected trend of Vision Transformers (ViT) being not perceptually aligned with human visual representations by showing how a dual-stream Transformer, a CrossViT$~\textit{a la}$ Chen et al. (2021), under a joint rotationally-invariant and adversarial optimization procedure yields 2nd place in the aggregate Brain-Score 2022 competition(Schrimpf et al., 2020b) averaged across all visual categories, and at the time of the competition held 1st place for the highest explainable variance of area V4. In addition, our current Transformer-based model also achieves greater explainable variance for areas V4, IT and Behaviour than a biologically-inspired CNN (ResNet50) that integrates a frontal V1-like computation module (Dapello et al.,2020). To assess the contribution of the optimization scheme with respect to the CrossViT architecture, we perform several additional experiments on differently optimized CrossViT's regarding adversarial robustness, common corruption benchmarks, mid-ventral stimuli interpretation and feature inversion. Against our initial expectations, our family of results provides tentative support for an $\textit{"All roads lead to Rome"}$ argument enforced via a joint optimization rule even for non biologically-motivated models of vision such as Vision Transformers. Code is available at https://github.com/williamberrios/BrainScore-Transformers

The DIVA model is a computational model of speech motor control that combines a simulation of the brain regions responsible for speech production with a model of the human vocal tract. The model is currently implemented in Matlab Simulink; however, this is less than ideal as most of the development in speech technology research is done in Python. This means there is a wealth of machine learning tools which are freely available in the Python ecosystem that cannot be easily integrated with DIVA. We present TorchDIVA, a full rebuild of DIVA in Python using PyTorch tensors. DIVA source code was directly translated from Matlab to Python, and built-in Simulink signal blocks were implemented from scratch. After implementation, the accuracy of each module was evaluated via systematic block-by-block validation. The TorchDIVA model is shown to produce outputs that closely match those of the original DIVA model, with a negligible difference between the two. We additionally present an example of the extensibility of TorchDIVA as a research platform. Speech quality enhancement in TorchDIVA is achieved through an integration with an existing PyTorch generative vocoder called DiffWave. A modified DiffWave mel-spectrum upsampler was trained on human speech waveforms and conditioned on the TorchDIVA speech production. The results indicate improved speech quality metrics in the DiffWave-enhanced output as compared to the baseline. This enhancement would have been difficult or impossible to accomplish in the original Matlab implementation. This proof-of-concept demonstrates the value TorchDIVA will bring to the research community. Researchers can download the new implementation at: https://github.com/skinahan/DIVA_PyTorch

The world is still overwhelmed by the spread of the COVID-19 virus. With over 250 Million infected cases as of November 2021 and affecting 219 countries and territories, the world remains in the pandemic period. Detecting COVID-19 using the deep learning method on CT scan images can play a vital role in assisting medical professionals and decision authorities in controlling the spread of the disease and providing essential support for patients. The convolution neural network is widely used in the field of large-scale image recognition. The current method of RT-PCR to diagnose COVID-19 is time-consuming and universally limited. This research aims to propose a deep learning-based approach to classify COVID-19 pneumonia patients, bacterial pneumonia, viral pneumonia, and healthy (normal cases). This paper used deep transfer learning to classify the data via Inception-ResNet-V2 neural network architecture. The proposed model has been intentionally simplified to reduce the implementation cost so that it can be easily implemented and used in different geographical areas, especially rural and developing regions.

We propose a novel communication design, termed random orthogonalization, for federated learning (FL) in a massive multiple-input and multiple-output (MIMO) wireless system. The key novelty of random orthogonalization comes from the tight coupling of FL and two unique characteristics of massive MIMO -- channel hardening and favorable propagation. As a result, random orthogonalization can achieve natural over-the-air model aggregation without requiring transmitter side channel state information (CSI) for the uplink phase of FL, while significantly reducing the channel estimation overhead at the receiver. We extend this principle to the downlink communication phase and develop a simple but highly effective model broadcast method for FL. We also relax the massive MIMO assumption by proposing an enhanced random orthogonalization design for both uplink and downlink FL communications, that does not rely on channel hardening or favorable propagation. Theoretical analyses with respect to both communication and machine learning performance are carried out. In particular, an explicit relationship among the convergence rate, the number of clients, and the number of antennas is established. Experimental results validate the effectiveness and efficiency of random orthogonalization for FL in massive MIMO.

With a rising attention for the issue of PM2.5 or PM0.3, particulate matters have become not only a potential threat to both the environment and human, but also a harming existence to instruments onboard International Space Station (ISS). Our team is aiming to relate various concentration of particulate matters to magnetic fields, humidity, acceleration, temperature, pressure and CO2 concentration. Our goal is to establish an early warning system (EWS), which is able to forecast the levels of particulate matters and provides ample reaction time for astronauts to protect their instruments in some experiments or increase the accuracy of the measurements; In addition, the constructed model can be further developed into a prototype of a remote-sensing smoke alarm for applications related to fires. In this article, we will implement the Bi-GRU (Bidirectional Gated Recurrent Unit) algorithms that collect data for past 90 minutes and predict the levels of particulates which over 2.5 micrometer per 0.1 liter for the next 1 minute, which is classified as an early warning

The classical Perceptron algorithm of Rosenblatt can be used to find a linear threshold function to correctly classify $n$ linearly separable data points, assuming the classes are separated by some margin $\gamma > 0$. A foundational result is that Perceptron converges after $\Omega(1/\gamma^{2})$ iterations. There have been several recent works that managed to improve this rate by a quadratic factor, to $\Omega(\sqrt{\log n}/\gamma)$, with more sophisticated algorithms. In this paper, we unify these existing results under one framework by showing that they can all be described through the lens of solving min-max problems using modern acceleration techniques, mainly through optimistic online learning. We then show that the proposed framework also lead to improved results for a series of problems beyond the standard Perceptron setting. Specifically, a) For the margin maximization problem, we improve the state-of-the-art result from $O(\log t/t^2)$ to $O(1/t^2)$, where $t$ is the number of iterations; b) We provide the first result on identifying the implicit bias property of the classical Nesterov's accelerated gradient descent (NAG) algorithm, and show NAG can maximize the margin with an $O(1/t^2)$ rate; c) For the classical $p$-norm Perceptron problem, we provide an algorithm with $\Omega(\sqrt{(p-1)\log n}/\gamma)$ convergence rate, while existing algorithms suffer the $\Omega({(p-1)}/\gamma^2)$ convergence rate.

In recent years, deep neural networks have demonstrated increasingly strong abilities to recognize objects and activities in videos. However, as video understanding becomes widely used in real-world applications, a key consideration is developing human-centric systems that understand not only the content of the video but also how it would affect the wellbeing and emotional state of viewers. To facilitate research in this setting, we introduce two large-scale datasets with over 60,000 videos manually annotated for emotional response and subjective wellbeing. The Video Cognitive Empathy (VCE) dataset contains annotations for distributions of fine-grained emotional responses, allowing models to gain a detailed understanding of affective states. The Video to Valence (V2V) dataset contains annotations of relative pleasantness between videos, which enables predicting a continuous spectrum of wellbeing. In experiments, we show how video models that are primarily trained to recognize actions and find contours of objects can be repurposed to understand human preferences and the emotional content of videos. Although there is room for improvement, predicting wellbeing and emotional response is on the horizon for state-of-the-art models. We hope our datasets can help foster further advances at the intersection of commonsense video understanding and human preference learning.

The existence of adversarial attacks (or adversarial examples) brings huge concern about the machine learning (ML) model's safety issues. For many safety-critical ML tasks, such as financial forecasting, fraudulent detection, and anomaly detection, the data samples are usually mixed-type, which contain plenty of numerical and categorical features at the same time. However, how to generate adversarial examples with mixed-type data is still seldom studied. In this paper, we propose a novel attack algorithm M-Attack, which can effectively generate adversarial examples in mixed-type data. Based on M-Attack, attackers can attempt to mislead the targeted classification model's prediction, by only slightly perturbing both the numerical and categorical features in the given data samples. More importantly, by adding designed regularizations, our generated adversarial examples can evade potential detection models, which makes the attack indeed insidious. Through extensive empirical studies, we validate the effectiveness and efficiency of our attack method and evaluate the robustness of existing classification models against our proposed attack. The experimental results highlight the feasibility of generating adversarial examples toward machine learning models in real-world applications.

The existence of adversarial examples brings huge concern for people to apply Deep Neural Networks (DNNs) in safety-critical tasks. However, how to generate adversarial examples with categorical data is an important problem but lack of extensive exploration. Previously established methods leverage greedy search method, which can be very time-consuming to conduct successful attack. This also limits the development of adversarial training and potential defenses for categorical data. To tackle this problem, we propose Probabilistic Categorical Adversarial Attack (PCAA), which transfers the discrete optimization problem to a continuous problem that can be solved efficiently by Projected Gradient Descent. In our paper, we theoretically analyze its optimality and time complexity to demonstrate its significant advantage over current greedy based attacks. Moreover, based on our attack, we propose an efficient adversarial training framework. Through a comprehensive empirical study, we justify the effectiveness of our proposed attack and defense algorithms.

Graph machine learning has gained great attention in both academia and industry recently. Most of the graph machine learning models, such as Graph Neural Networks (GNNs), are trained over massive graph data. However, in many real-world scenarios, such as hospitalization prediction in healthcare systems, the graph data is usually stored at multiple data owners and cannot be directly accessed by any other parties due to privacy concerns and regulation restrictions. Federated Graph Machine Learning (FGML) is a promising solution to tackle this challenge by training graph machine learning models in a federated manner. In this survey, we conduct a comprehensive review of the literature in FGML. Specifically, we first provide a new taxonomy to divide the existing problems in FGML into two settings, namely, FL with structured data and structured FL. Then, we review the mainstream techniques in each setting and elaborate on how they address the challenges under FGML. In addition, we summarize the real-world applications of FGML from different domains and introduce open graph datasets and platforms adopted in FGML. Finally, we present several limitations in the existing studies with promising research directions in this field.

Although evaluation of the expectations on the Ising model is essential in various applications, it is mostly infeasible because of intractable multiple summations. Spatial Monte Carlo integration (SMCI) is a sampling-based approximation. It can provide high-accuracy estimations for such intractable expectations. To evaluate the expectation of a function of variables in a specific region (called target region), SMCI considers a larger region containing the target region (called sum region). In SMCI, the multiple summation for the variables in the sum region is precisely executed, and that in the outer region is evaluated by the sampling approximation such as the standard Monte Carlo integration. It is guaranteed that the accuracy of the SMCI estimator improves monotonically as the size of the sum region increases. However, a haphazard expansion of the sum region could cause a combinatorial explosion. Therefore, we hope to improve the accuracy without such an expansion. In this paper, based on the theory of generalized least squares (GLS), a new effective method is proposed by combining multiple SMCI estimators. The validity of the proposed method is demonstrated theoretically and numerically. The results indicate that the proposed method can be effective in the inverse Ising problem (or Boltzmann machine learning).

Automatic rib labeling and anatomical centerline extraction are common prerequisites for various clinical applications. Prior studies either use in-house datasets that are inaccessible to communities, or focus on rib segmentation that neglects the clinical significance of rib labeling. To address these issues, we extend our prior dataset (RibSeg) on the binary rib segmentation task to a comprehensive benchmark, named RibSeg v2, with 660 CT scans (15,466 individual ribs in total) and annotations manually inspected by experts for rib labeling and anatomical centerline extraction. Based on the RibSeg v2, we develop a pipeline including deep learning-based methods for rib labeling, and a skeletonization-based method for centerline extraction. To improve computational efficiency, we propose a sparse point cloud representation of CT scans and compare it with standard dense voxel grids. Moreover, we design and analyze evaluation metrics to address the key challenges of each task. Our dataset, code, and model are available online to facilitate open research at https://github.com/M3DV/RibSeg

In recent years there has been a collective research effort to find new formulations of reinforcement learning that are simultaneously more efficient and more amenable to analysis. This paper concerns one approach that builds on the linear programming (LP) formulation of optimal control of Manne. A primal version is called logistic Q-learning, and a dual variant is convex Q-learning. This paper focuses on the latter, while building bridges with the former. The main contributions follow: (i) The dual of convex Q-learning is not precisely Manne's LP or a version of logistic Q-learning, but has similar structure that reveals the need for regularization to avoid over-fitting. (ii) A sufficient condition is obtained for a bounded solution to the Q-learning LP. (iii) Simulation studies reveal numerical challenges when addressing sampled-data systems based on a continuous time model. The challenge is addressed using state-dependent sampling. The theory is illustrated with applications to examples from OpenAI gym. It is shown that convex Q-learning is successful in cases where standard Q-learning diverges, such as the LQR problem.

Behavior cloning of expert demonstrations can speed up learning optimal policies in a more sample-efficient way over reinforcement learning. However, the policy cannot extrapolate well to unseen states outside of the demonstration data, creating covariate shift (agent drifting away from demonstrations) and compounding errors. In this work, we tackle this issue by extending the region of attraction around the demonstrations so that the agent can learn how to get back onto the demonstrated trajectories if it veers off-course. We train a generative backwards dynamics model and generate short imagined trajectories from states in the demonstrations. By imitating both demonstrations and these model rollouts, the agent learns the demonstrated paths and how to get back onto these paths. With optimal or near-optimal demonstrations, the learned policy will be both optimal and robust to deviations, with a wider region of attraction. On continuous control domains, we evaluate the robustness when starting from different initial states unseen in the demonstration data. While both our method and other imitation learning baselines can successfully solve the tasks for initial states in the training distribution, our method exhibits considerably more robustness to different initial states.

Neural networks are known to exploit spurious artifacts (or shortcuts) that co-occur with a target label, exhibiting heuristic memorization. On the other hand, networks have been shown to memorize training examples, resulting in example-level memorization. These kinds of memorization impede generalization of networks beyond their training distributions. Detecting such memorization could be challenging, often requiring researchers to curate tailored test sets. In this work, we hypothesize -- and subsequently show -- that the diversity in the activation patterns of different neurons is reflective of model generalization and memorization. We quantify the diversity in the neural activations through information-theoretic measures and find support for our hypothesis on experiments spanning several natural language and vision tasks. Importantly, we discover that information organization points to the two forms of memorization, even for neural activations computed on unlabeled in-distribution examples. Lastly, we demonstrate the utility of our findings for the problem of model selection. The associated code and other resources for this work are available at https://linktr.ee/InformationMeasures .

When a deep learning model is sequentially trained on different datasets, it forgets the knowledge acquired from previous data, a phenomenon known as catastrophic forgetting. It deteriorates performance of the deep learning model on diverse datasets, which is critical in privacy-preserving deep learning (PPDL) applications based on transfer learning (TL). To overcome this, we propose review learning (RL), a generative-replay-based continual learning technique that does not require a separate generator. Data samples are generated from the memory stored within the synaptic weights of the deep learning model which are used to review knowledge acquired from previous datasets. The performance of RL was validated through PPDL experiments. Simulations and real-world medical multi-institutional experiments were conducted using three types of binary classification electronic health record data. In the real-world experiments, the global area under the receiver operating curve was 0.710 for RL and 0.655 for TL. Thus, RL was highly effective in retaining previously learned knowledge.

Despite the established convergence theory of Optimistic Gradient Descent Ascent (OGDA) and Extragradient (EG) methods for the convex-concave minimax problems, little is known about the theoretical guarantees of these methods in nonconvex settings. To bridge this gap, for the first time, this paper establishes the convergence of OGDA and EG methods under the nonconvex-strongly-concave (NC-SC) and nonconvex-concave (NC-C) settings by providing a unified analysis through the lens of single-call extra-gradient methods. We further establish lower bounds on the convergence of GDA/OGDA/EG, shedding light on the tightness of our analysis. We also conduct experiments supporting our theoretical results. We believe our results will advance the theoretical understanding of OGDA and EG methods for solving complicated nonconvex minimax real-world problems, e.g., Generative Adversarial Networks (GANs) or robust neural networks training.

Online convex optimization (OCO) is a widely used framework in online learning. In each round, the learner chooses a decision in some convex set and an adversary chooses a convex loss function, and then the learner suffers the loss associated with their chosen decision. However, in many of the motivating applications the loss of the learner depends not only on the current decision but on the entire history of decisions until that point. The OCO framework and existing generalizations thereof fail to capture this. In this work we introduce a generalization of the OCO framework, ``Online Convex Optimization with Unbounded Memory'', that captures long-term dependence on past decisions. We introduce the notion of $p$-effective memory capacity, $H_p$, that quantifies the maximum influence of past decisions on current losses. We prove a $O(\sqrt{H_1 T})$ policy regret bound and a stronger $O(\sqrt{H_p T})$ policy regret bound under mild additional assumptions. These bounds are optimal in terms of their dependence on the time horizon $T$. We show the broad applicability of our framework by using it to derive regret bounds, and to simplify existing regret bound derivations, for a variety of online learning problems including an online variant of performative prediction and online linear control.

Neighbor embeddings are a family of methods for visualizing complex high-dimensional datasets using $k$NN graphs. To find the low-dimensional embedding, these algorithms combine an attractive force between neighboring pairs of points with a repulsive force between all points. One of the most popular examples of such algorithms is t-SNE. Here we empirically show that changing the balance between the attractive and the repulsive forces in t-SNE using the exaggeration parameter yields a spectrum of embeddings, which is characterized by a simple trade-off: stronger attraction can better represent continuous manifold structures, while stronger repulsion can better represent discrete cluster structures and yields higher $k$NN recall. We find that UMAP embeddings correspond to t-SNE with increased attraction; mathematical analysis shows that this is because the negative sampling optimisation strategy employed by UMAP strongly lowers the effective repulsion. Likewise, ForceAtlas2, commonly used for visualizing developmental single-cell transcriptomic data, yields embeddings corresponding to t-SNE with the attraction increased even more. At the extreme of this spectrum lie Laplacian Eigenmaps. Our results demonstrate that many prominent neighbor embedding algorithms can be placed onto the attraction-repulsion spectrum, and highlight the inherent trade-offs between them.

In distribution compression, one aims to accurately summarize a probability distribution $\mathbb{P}$ using a small number of representative points. Near-optimal thinning procedures achieve this goal by sampling $n$ points from a Markov chain and identifying $\sqrt{n}$ points with $\widetilde{\mathcal{O}}(1/\sqrt{n})$ discrepancy to $\mathbb{P}$. Unfortunately, these algorithms suffer from quadratic or super-quadratic runtime in the sample size $n$. To address this deficiency, we introduce Compress++, a simple meta-procedure for speeding up any thinning algorithm while suffering at most a factor of $4$ in error. When combined with the quadratic-time kernel halving and kernel thinning algorithms of Dwivedi and Mackey (2021), Compress++ delivers $\sqrt{n}$ points with $\mathcal{O}(\sqrt{\log n/n})$ integration error and better-than-Monte-Carlo maximum mean discrepancy in $\mathcal{O}(n \log^3 n)$ time and $\mathcal{O}( \sqrt{n} \log^2 n )$ space. Moreover, Compress++ enjoys the same near-linear runtime given any quadratic-time input and reduces the runtime of super-quadratic algorithms by a square-root factor. In our benchmarks with high-dimensional Monte Carlo samples and Markov chains targeting challenging differential equation posteriors, Compress++ matches or nearly matches the accuracy of its input algorithm in orders of magnitude less time.

Transformers have shown great power in time series forecasting due to their global-range modeling ability. However, their performance can degenerate terribly on non-stationary real-world data in which the joint distribution changes over time. Previous studies primarily adopt stationarization to attenuate the non-stationarity of original series for better predictability. But the stationarized series deprived of inherent non-stationarity can be less instructive for real-world bursty events forecasting. This problem, termed over-stationarization in this paper, leads Transformers to generate indistinguishable temporal attentions for different series and impedes the predictive capability of deep models. To tackle the dilemma between series predictability and model capability, we propose Non-stationary Transformers as a generic framework with two interdependent modules: Series Stationarization and De-stationary Attention. Concretely, Series Stationarization unifies the statistics of each input and converts the output with restored statistics for better predictability. To address the over-stationarization problem, De-stationary Attention is devised to recover the intrinsic non-stationary information into temporal dependencies by approximating distinguishable attentions learned from raw series. Our Non-stationary Transformers framework consistently boosts mainstream Transformers by a large margin, which reduces MSE by 49.43% on Transformer, 47.34% on Informer, and 46.89% on Reformer, making them the state-of-the-art in time series forecasting. Code is available at this repository: https://github.com/thuml/Nonstationary_Transformers.

Learning representations for individual instances when only bag-level labels are available is a fundamental challenge in multiple instance learning (MIL). Recent works have shown promising results using contrastive self-supervised learning (CSSL), which learns to push apart representations corresponding to two different randomly-selected instances. Unfortunately, in real-world applications such as medical image classification, there is often class imbalance, so randomly-selected instances mostly belong to the same majority class, which precludes CSSL from learning inter-class differences. To address this issue, we propose a novel framework, Iterative Self-paced Supervised Contrastive Learning for MIL Representations (ItS2CLR), which improves the learned representation by exploiting instance-level pseudo labels derived from the bag-level labels. The framework employs a novel self-paced sampling strategy to ensure the accuracy of pseudo labels. We evaluate ItS2CLR on three medical datasets, showing that it improves the quality of instance-level pseudo labels and representations, and outperforms existing MIL methods in terms of both bag and instance level accuracy.

Although reinforcement learning has found widespread use in dense reward settings, training autonomous agents with sparse rewards remains challenging. To address this difficulty, prior work has shown promising results when using not only task-specific demonstrations but also task-agnostic albeit somewhat related demonstrations. In most cases, the available demonstrations are distilled into an implicit prior, commonly represented via a single deep net. Explicit priors in the form of a database that can be queried have also been shown to lead to encouraging results. To better benefit from available demonstrations, we develop a method to Combine Explicit and Implicit Priors (CEIP). CEIP exploits multiple implicit priors in the form of normalizing flows in parallel to form a single complex prior. Moreover, CEIP uses an effective explicit retrieval and push-forward mechanism to condition the implicit priors. In three challenging environments, we find the proposed CEIP method to improve upon sophisticated state-of-the-art techniques.

While large-scale sequence modeling from offline data has led to impressive performance gains in natural language and image generation, directly translating such ideas to robotics has been challenging. One critical reason for this is that uncurated robot demonstration data, i.e. play data, collected from non-expert human demonstrators are often noisy, diverse, and distributionally multi-modal. This makes extracting useful, task-centric behaviors from such data a difficult generative modeling problem. In this work, we present Conditional Behavior Transformers (C-BeT), a method that combines the multi-modal generation ability of Behavior Transformer with future-conditioned goal specification. On a suite of simulated benchmark tasks, we find that C-BeT improves upon prior state-of-the-art work in learning from play data by an average of 45.7%. Further, we demonstrate for the first time that useful task-centric behaviors can be learned on a real-world robot purely from play data without any task labels or reward information. Robot videos are best viewed on our project website: https://play-to-policy.github.io

Despite the great empirical success of actor-critic methods, its finite-time convergence is still poorly understood in its most practical form. In particular, the analysis of single-timescale actor-critic presents significant challenges due to the highly inaccurate critic estimation and the complex error propagation dynamics over iterations. Existing works on analyzing single-timescale actor-critic only focus on the i.i.d. sampling or tabular setting for simplicity, which is rarely the case in practical applications. We consider the more practical online single-timescale actor-critic algorithm on continuous state space, where the critic is updated with a single Markovian sample per actor step. We prove that the online single-timescale actor-critic method is guaranteed to find an $\epsilon$-approximate stationary point with $\widetilde{\mathcal{O}}(\epsilon^{-2})$ sample complexity under standard assumptions, which can be further improved to $\mathcal{O}(\epsilon^{-2})$ under i.i.d. sampling. Our analysis develops a novel framework that evaluates and controls the error propagation between actor and critic in a systematic way. To our knowledge, this is the first finite-time analysis for online single-timescale actor-critic method. Overall, our results compare favorably to the existing literature on analyzing actor-critic in terms of considering the most practical settings and requiring weaker assumptions.

Machine learning (ML) formalizes the problem of getting computers to learn from experience as optimization of performance according to some metric(s) on a set of data examples. This is in contrast to requiring behaviour specified in advance (e.g. by hard-coded rules). Formalization of this problem has enabled great progress in many applications with large real-world impact, including translation, speech recognition, self-driving cars, and drug discovery. But practical instantiations of this formalism make many assumptions - for example, that data are i.i.d.: independent and identically distributed - whose soundness is seldom investigated. And in making great progress in such a short time, the field has developed many norms and ad-hoc standards, focused on a relatively small range of problem settings. As applications of ML, particularly in artificial intelligence (AI) systems, become more pervasive in the real world, we need to critically examine these assumptions, norms, and problem settings, as well as the methods that have become de-facto standards. There is much we still do not understand about how and why deep networks trained with stochastic gradient descent are able to generalize as well as they do, why they fail when they do, and how they will perform on out-of-distribution data. In this thesis I cover some of my work towards better understanding deep net generalization, identify several ways assumptions and problem settings fail to generalize to the real world, and propose ways to address those failures in practice.

Multimodal pre-training breaks down the modality barriers and allows the individual modalities to be mutually augmented with information, resulting in significant advances in representation learning. However, graph modality, as a very general and important form of data, cannot be easily interacted with other modalities because of its non-regular nature. In this paper, we propose MMGA (Multimodal learning with Graph Alignment), a novel multimodal pre-training framework to incorporate information from graph (social network), image and text modalities on social media to enhance user representation learning. In MMGA, a multi-step graph alignment mechanism is proposed to add the self-supervision from graph modality to optimize the image and text encoders, while using the information from the image and text modalities to guide the graph encoder learning. We conduct experiments on the dataset crawled from Instagram. The experimental results show that MMGA works well on the dataset and improves the fans prediction task's performance. We release our dataset, the first social media multimodal dataset with graph, of 60,000 users labeled with specific topics based on 2 million posts to facilitate future research.

Visualization methods based on the nearest neighbor graph, such as t-SNE or UMAP, are widely used for visualizing high-dimensional data. Yet, these approaches only produce meaningful results if the nearest neighbors themselves are meaningful. For images represented in pixel space this is not the case, as distances in pixel space are often not capturing our sense of similarity and therefore neighbors are not semantically close. This problem can be circumvented by self-supervised approaches based on contrastive learning, such as SimCLR, relying on data augmentation to generate implicit neighbors, but these methods do not produce two-dimensional embeddings suitable for visualization. Here, we present a new method, called t-SimCNE, for unsupervised visualization of image data. T-SimCNE combines ideas from contrastive learning and neighbor embeddings, and trains a parametric mapping from the high-dimensional pixel space into two dimensions. We show that the resulting 2D embeddings achieve classification accuracy comparable to the state-of-the-art high-dimensional SimCLR representations, thus faithfully capturing semantic relationships. Using t-SimCNE, we obtain informative visualizations of the CIFAR-10 and CIFAR-100 datasets, showing rich cluster structure and highlighting artifacts and outliers.

The vulnerability of Deep Neural Networks to Adversarial Attacks has fuelled research towards building robust models. While most Adversarial Training algorithms aim at defending attacks constrained within low magnitude Lp norm bounds, real-world adversaries are not limited by such constraints. In this work, we aim to achieve adversarial robustness within larger bounds, against perturbations that may be perceptible, but do not change human (or Oracle) prediction. The presence of images that flip Oracle predictions and those that do not makes this a challenging setting for adversarial robustness. We discuss the ideal goals of an adversarial defense algorithm beyond perceptual limits, and further highlight the shortcomings of naively extending existing training algorithms to higher perturbation bounds. In order to overcome these shortcomings, we propose a novel defense, Oracle-Aligned Adversarial Training (OA-AT), to align the predictions of the network with that of an Oracle during adversarial training. The proposed approach achieves state-of-the-art performance at large epsilon bounds (such as an L-inf bound of 16/255 on CIFAR-10) while outperforming existing defenses (AWP, TRADES, PGD-AT) at standard bounds (8/255) as well.

We present UniTune, a simple and novel method for general text-driven image editing. UniTune gets as input an arbitrary image and a textual edit description, and carries out the edit while maintaining high semantic and visual fidelity to the input image. UniTune uses text, an intuitive interface for art-direction, and does not require additional inputs, like masks or sketches. At the core of our method is the observation that with the right choice of parameters, we can fine-tune a large text-to-image diffusion model on a single image, encouraging the model to maintain fidelity to the input image while still allowing expressive manipulations. We used Imagen as our text-to-image model, but we expect UniTune to work with other large-scale models as well. We test our method in a range of different use cases, and demonstrate its wide applicability.

With the demand for renewable energy and efficient devices rapidly increasing, a need arises to find and optimize novel (nano)materials. This can be an extremely tedious process, often relying significantly on trial and error. Machine learning has emerged recently as a powerful alternative; however, most approaches require a substantial amount of data points, i.e., syntheses. Here, we merge three machine-learning models with Bayesian Optimization and are able to dramatically improve the quality of CsPbBr3 nanoplatelets (NPLs) using only approximately 200 total syntheses. The algorithm can predict the resulting PL emission maxima of the NPL dispersions based on the precursor ratios, which lead to previously unobtainable 7 and 8 ML NPLs. Aided by heuristic knowledge, the algorithm should be easily applicable to other nanocrystal syntheses and significantly help to identify interesting compositions and rapidly improve their quality.

The message-passing mechanism helps Graph Neural Networks (GNNs) achieve remarkable results on various node classification tasks. Nevertheless, the recursive nodes fetching and aggregation in message-passing cause inference latency when deploying GNNs to large-scale graphs. One promising inference acceleration direction is to distill the GNNs into message-passing-free student multi-layer perceptrons (MLPs). However, the MLP student cannot fully learn the structure knowledge due to the lack of structure inputs, which causes inferior performance in the heterophily and inductive scenarios. To address this, we intend to inject structure information into MLP-like students in low-latency and interpretable ways. Specifically, we first design a Structure-Aware MLP (SA-MLP) student that encodes both features and structures without message-passing. Then, we introduce a novel structure-mixing knowledge distillation strategy to enhance the learning ability of MLPs for structure information. Furthermore, we design a latent structure embedding approximation technique with two-stage distillation for inductive scenarios. Extensive experiments on eight benchmark datasets under both transductive and inductive settings show that our SA-MLP can consistently outperform the teacher GNNs, while maintaining faster inference as MLPs. The source code of our work can be found in https://github.com/JC-202/SA-MLP.

We present consistent algorithms for multiclass learning with complex performance metrics and constraints, where the objective and constraint are defined by arbitrary functions of the confusion matrix. This setting includes many common performance metrics such as the multiclass G-mean and micro F1-measure, and constraints such as those on the classifier's precision and recall and more recent measures of fairness discrepancy. We give a general framework for designing consistent algorithms for such complex design goals by viewing the learning problem as an optimization problem over the set of feasible confusion matrices. We provide multiple instantiations of our framework under different assumptions on the performance metrics and constraints, and in each case show rates of convergence to the optimal (feasible) classifier (and this asymptotic consistency). Experiments on a variety of multiclass classification and fairness-constrained problems show that our algorithms compare favorably to the state-of-the-art baselines.

Graph-based anomaly detection finds numerous applications in the real-world. Thus, there exists extensive literature on the topic that has recently shifted toward deep detection models due to advances in deep learning and graph neural networks (GNNs). A vast majority of prior work focuses on detecting node/edge/subgraph anomalies within a single graph, with much less work on graph-level anomaly detection in a graph database. This work aims to fill two gaps in the literature: We (1) design GLAM, an end-to-end graph-level anomaly detection model based on GNNs, and (2) focus on unsupervised model selection, which is notoriously hard due to lack of any labels, yet especially critical for deep NN based models with a long list of hyper-parameters. Further, we propose a new pooling strategy for graph-level embedding, called MMD-pooling, that is geared toward detecting distribution anomalies which has not been considered before. Through extensive experiments on 15 real-world datasets, we show that (i) GLAM outperforms node-level and two-stage (i.e. not end-to-end) baselines, and (ii) model selection picks a significantly more effective model than expectation (i.e. average) -- without using any labels -- among candidates with otherwise large variation in performance.

Temperature is a widely used hyperparameter in various tasks involving neural networks, such as classification or metric learning, whose choice can have a direct impact on the model performance. Most of existing works select its value using hyperparameter optimization methods requiring several runs to find the optimal value. We propose to analyze the impact of temperature on classification tasks by describing a dataset as a set of statistics computed on representations on which we can build a heuristic giving us a default value of temperature. We study the correlation between these extracted statistics and the observed optimal temperatures. This preliminary study on more than a hundred combinations of different datasets and features extractors highlights promising results towards the construction of a general heuristic for temperature.

In complex environments, where the human sensory system reaches its limits, our behaviour is strongly driven by our beliefs about the state of the world around us. Accessing others' beliefs, intentions, or mental states in general, could thus allow for more effective social interactions in natural contexts. Yet these variables are not directly observable. Theory of Mind (TOM), the ability to attribute to other agents' beliefs, intentions, or mental states in general, is a crucial feature of human social interaction and has become of interest to the robotics community. Recently, new models that are able to learn TOM have been introduced. In this paper, we show the synergy between learning to predict low-level mental states, such as intentions and goals, and attributing high-level ones, such as beliefs. Assuming that learning of beliefs can take place by observing own decision and beliefs estimation processes in partially observable environments and using a simple feed-forward deep learning model, we show that when learning to predict others' intentions and actions, faster and more accurate predictions can be acquired if beliefs attribution is learnt simultaneously with action and intentions prediction. We show that the learning performance improves even when observing agents with a different decision process and is higher when observing beliefs-driven chunks of behaviour. We propose that our architectural approach can be relevant for the design of future adaptive social robots that should be able to autonomously understand and assist human partners in novel natural environments and tasks.

Predicting the behaviour of shoppers provides valuable information for retailers, such as the expected spend of a shopper or the total turnover of a supermarket. The ability to make predictions on an individual level is useful, as it allows supermarkets to accurately perform targeted marketing. However, given the expected number of shoppers and their diverse behaviours, making accurate predictions on an individual level is difficult. This problem does not only arise in shopper behaviour, but also in various business processes, such as predicting when an invoice will be paid. In this paper we present CAPiES, a framework that focuses on this trade-off in an online setting. By making predictions on a larger number of entities at a time, we improve the predictive accuracy but at the potential cost of usefulness since we can say less about the individual entities. CAPiES is developed in an online setting, where we continuously update the prediction model and make new predictions over time. We show the existence of the trade-off in an experimental evaluation in two real-world scenarios: a supermarket with over 160 000 shoppers and a paint factory with over 171 000 invoices.

Due to the rising number of sophisticated customer functionalities, electronic control units (ECUs) are increasingly integrated into modern automotive systems. However, the high connectivity between the in-vehicle and the external networks paves the way for hackers who could exploit in-vehicle network protocols' vulnerabilities. Among these protocols, the Controller Area Network (CAN), known as the most widely used in-vehicle networking technology, lacks encryption and authentication mechanisms, making the communications delivered by distributed ECUs insecure. Inspired by the outstanding performance of bidirectional encoder representations from transformers (BERT) for improving many natural language processing tasks, we propose in this paper ``CAN-BERT", a deep learning based network intrusion detection system, to detect cyber attacks on CAN bus protocol. We show that the BERT model can learn the sequence of arbitration identifiers (IDs) in the CAN bus for anomaly detection using the ``masked language model" unsupervised training objective. The experimental results on the ``Car Hacking: Attack \& Defense Challenge 2020" dataset show that ``CAN-BERT" outperforms state-of-the-art approaches. In addition to being able to identify in-vehicle intrusions in real-time within 0.8 ms to 3 ms w.r.t CAN ID sequence length, it can also detect a wide variety of cyberattacks with an F1-score of between 0.81 and 0.99.

The classical algorithms for online learning and decision-making have the benefit of achieving the optimal performance guarantees, but suffer from computational complexity limitations when implemented at scale. More recent sophisticated techniques, which we refer to as oracle-efficient methods, address this problem by dispatching to an offline optimization oracle that can search through an exponentially-large (or even infinite) space of decisions and select that which performed the best on any dataset. But despite the benefits of computational feasibility, oracle-efficient algorithms exhibit one major limitation: while performing well in worst-case settings, they do not adapt well to friendly environments. In this paper we consider two such friendly scenarios, (a) "small-loss" problems and (b) IID data. We provide a new framework for designing follow-the-perturbed-leader algorithms that are oracle-efficient and adapt well to the small-loss environment, under a particular condition which we call approximability (which is spiritually related to sufficient conditions provided by Dud\'{i}k et al., [2020]). We identify a series of real-world settings, including online auctions and transductive online classification, for which approximability holds. We also extend the algorithm to an IID data setting and establish a "best-of-both-worlds" bound in the oracle-efficient setting.

Large, curated datasets are required to leverage speech-based tools in healthcare. These are costly to produce, resulting in increased interest in data sharing. As speech can potentially identify speakers (i.e., voiceprints), sharing recordings raises privacy concerns. We examine the re-identification risk for speech recordings, without reference to demographic or metadata, using a state-of-the-art speaker recognition system. We demonstrate that the risk is inversely related to the number of comparisons an adversary must consider, i.e., the search space. Risk is high for a small search space but drops as the search space grows ($precision >0.85$ for $3*10^{6}$ comparisons). Next, we show that the nature of a speech recording influences re-identification risk, with non-connected speech (e.g., vowel prolongation) being harder to identify. Our findings suggest that speaker recognition systems can be used to re-identify participants in specific circumstances, but in practice, the re-identification risk appears low.

We propose a novel regularizer for supervised learning called Conditioning on Noisy Targets (CNT). This approach consists in conditioning the model on a noisy version of the target(s) (e.g., actions in imitation learning or labels in classification) at a random noise level (from small to large noise). At inference time, since we do not know the target, we run the network with only noise in place of the noisy target. CNT provides hints through the noisy label (with less noise, we can more easily infer the true target). This give two main benefits: 1) the top-down feedback allows the model to focus on simpler and more digestible sub-problems and 2) rather than learning to solve the task from scratch, the model will first learn to master easy examples (with less noise), while slowly progressing toward harder examples (with more noise).

Load forecasts have become an integral part of energy security. Due to the various influencing factors that can be considered in such a forecast, there is also a wide range of models that attempt to integrate these parameters into a system in various ways. Due to the growing importance of probabilistic load forecast models, different approaches are presented in this analysis. The focus is on different models from the short-term sector. After that, another model from the long-term sector is presented. Then, the presented models are put in relation to each other and examined with reference to advantages and disadvantages. Afterwards, the presented papers are analyzed with focus on their comparability to each other. Finally, an outlook on further areas of development in the literature will be discussed.

Diversity of the features extracted by deep neural networks is important for enhancing the model generalization ability and accordingly its performance in different learning tasks. Facial expression recognition in the wild has attracted interest in recent years due to the challenges existing in this area for extracting discriminative and informative features from occluded images in real-world scenarios. In this paper, we propose a mechanism to diversify the features extracted by CNN layers of state-of-the-art facial expression recognition architectures for enhancing the model capacity in learning discriminative features. To evaluate the effectiveness of the proposed approach, we incorporate this mechanism in two state-of-the-art models to (i) diversify local/global features in an attention-based model and (ii) diversify features extracted by different learners in an ensemble-based model. Experimental results on three well-known facial expression recognition in-the-wild datasets, AffectNet, FER+, and RAF-DB, show the effectiveness of our method, achieving the state-of-the-art performance of 89.99% on RAF-DB, 89.34% on FER+ and the competitive accuracy of 60.02% on AffectNet dataset.  ( 2 min )

A fundamental property of deep learning normalization techniques, such as batch normalization, is making the pre-normalization parameters scale invariant. The intrinsic domain of such parameters is the unit sphere, and therefore their gradient optimization dynamics can be represented via spherical optimization with varying effective learning rate (ELR), which was studied previously. However, the varying ELR may obscure certain characteristics of the intrinsic loss landscape structure. In this work, we investigate the properties of training scale-invariant neural networks directly on the sphere using a fixed ELR. We discover three regimes of such training depending on the ELR value: convergence, chaotic equilibrium, and divergence. We study these regimes in detail both on a theoretical examination of a toy example and on a thorough empirical analysis of real scale-invariant deep learning models. Each regime has unique features and reflects specific properties of the intrinsic loss landscape, some of which have strong parallels with previous research on both regular and scale-invariant neural networks training. Finally, we demonstrate how the discovered regimes are reflected in conventional training of normalized networks and how they can be leveraged to achieve better optima.

Recent advances in mobile health (mHealth) technology provide an effective way to monitor individuals' health statuses and deliver just-in-time personalized interventions. However, the practical use of mHealth technology raises unique challenges to existing methodologies on learning an optimal dynamic treatment regime. Many mHealth applications involve decision-making with large numbers of intervention options and under an infinite time horizon setting where the number of decision stages diverges to infinity. In addition, temporary medication shortages may cause optimal treatments to be unavailable, while it is unclear what alternatives can be used. To address these challenges, we propose a Proximal Temporal consistency Learning (pT-Learning) framework to estimate an optimal regime that is adaptively adjusted between deterministic and stochastic sparse policy models. The resulting minimax estimator avoids the double sampling issue in the existing algorithms. It can be further simplified and can easily incorporate off-policy data without mismatched distribution corrections. We study theoretical properties of the sparse policy and establish finite-sample bounds on the excess risk and performance error. The proposed method is provided in our proximalDTR package and is evaluated through extensive simulation studies and the OhioT1DM mHealth dataset.

Dynamic Linear Models (DLMs) are commonly employed for time series analysis due to their versatile structure, simple recursive updating, ability to handle missing data, and probabilistic forecasting. However, the options for count time series are limited: Gaussian DLMs require continuous data, while Poisson-based alternatives often lack sufficient modeling flexibility. We introduce a novel semiparametric methodology for count time series by warping a Gaussian DLM. The warping function has two components: a (nonparametric) transformation operator that provides distributional flexibility and a rounding operator that ensures the correct support for the discrete data-generating process. We develop conjugate inference for the warped DLM, which enables analytic and recursive updates for the state space filtering and smoothing distributions. We leverage these results to produce customized and efficient algorithms for inference and forecasting, including Monte Carlo simulation for offline analysis and an optimal particle filter for online inference. This framework unifies and extends a variety of discrete time series models and is valid for natural counts, rounded values, and multivariate observations. Simulation studies illustrate the excellent forecasting capabilities of the warped DLM. The proposed approach is applied to a multivariate time series of daily overdose counts and demonstrates both modeling and computational successes.

In distribution compression, one aims to accurately summarize a probability distribution $\mathbb{P}$ using a small number of representative points. Near-optimal thinning procedures achieve this goal by sampling $n$ points from a Markov chain and identifying $\sqrt{n}$ points with $\widetilde{\mathcal{O}}(1/\sqrt{n})$ discrepancy to $\mathbb{P}$. Unfortunately, these algorithms suffer from quadratic or super-quadratic runtime in the sample size $n$. To address this deficiency, we introduce Compress++, a simple meta-procedure for speeding up any thinning algorithm while suffering at most a factor of $4$ in error. When combined with the quadratic-time kernel halving and kernel thinning algorithms of Dwivedi and Mackey (2021), Compress++ delivers $\sqrt{n}$ points with $\mathcal{O}(\sqrt{\log n/n})$ integration error and better-than-Monte-Carlo maximum mean discrepancy in $\mathcal{O}(n \log^3 n)$ time and $\mathcal{O}( \sqrt{n} \log^2 n )$ space. Moreover, Compress++ enjoys the same near-linear runtime given any quadratic-time input and reduces the runtime of super-quadratic algorithms by a square-root factor. In our benchmarks with high-dimensional Monte Carlo samples and Markov chains targeting challenging differential equation posteriors, Compress++ matches or nearly matches the accuracy of its input algorithm in orders of magnitude less time.

We study representations of data from an arbitrary metric space $\mathcal{X}$ in the space of univariate Gaussian mixtures with a transport metric (Delon and Desolneux 2020). We derive embedding guarantees for feature maps implemented by small neural networks called \emph{probabilistic transformers}. Our guarantees are of memorization type: we prove that a probabilistic transformer of depth about $n\log(n)$ and width about $n^2$ can bi-H\"{o}lder embed any $n$-point dataset from $\mathcal{X}$ with low metric distortion, thus avoiding the curse of dimensionality. We further derive probabilistic bi-Lipschitz guarantees, which trade off the amount of distortion and the probability that a randomly chosen pair of points embeds with that distortion. If $\mathcal{X}$'s geometry is sufficiently regular, we obtain stronger, bi-Lipschitz guarantees for all points in the dataset. As applications, we derive neural embedding guarantees for datasets from Riemannian manifolds, metric trees, and certain types of combinatorial graphs. When instead embedding into multivariate Gaussian mixtures, we show that probabilistic transformers can compute bi-H\"{o}lder embeddings with arbitrarily small distortion.

Predictions about people, such as their expected educational achievement or their credit risk, can be performative and shape the outcome that they aim to predict. Understanding the causal effect of these predictions on the eventual outcomes is crucial for foreseeing the implications of future predictive models and selecting which models to deploy. However, this causal estimation task poses unique challenges: model predictions are usually deterministic functions of input features and highly correlated with outcomes. This can make the causal effects of predictions on outcomes impossible to disentangle from the direct effect of the covariates. We study this problem through the lens of causal identifiability, and despite the hardness of this problem in full generality, we highlight three natural scenarios where the causal relationship between covariates, predictions and outcomes can be identified from observational data: randomization in predictions, overparameterization of the predictive model deployed during data collection, and discrete prediction outputs. Empirically we show that given our identifiability conditions hold, standard variants of supervised learning that predict from predictions by treating the prediction as an input feature can indeed find transferable functional relationships that allow for conclusions about newly deployed predictive models. These positive results fundamentally rely on model predictions being recorded during data collection, bringing forward the importance of rethinking standard data collection practices to enable progress towards a better understanding of social outcomes and performative feedback loops.

Despite the established convergence theory of Optimistic Gradient Descent Ascent (OGDA) and Extragradient (EG) methods for the convex-concave minimax problems, little is known about the theoretical guarantees of these methods in nonconvex settings. To bridge this gap, for the first time, this paper establishes the convergence of OGDA and EG methods under the nonconvex-strongly-concave (NC-SC) and nonconvex-concave (NC-C) settings by providing a unified analysis through the lens of single-call extra-gradient methods. We further establish lower bounds on the convergence of GDA/OGDA/EG, shedding light on the tightness of our analysis. We also conduct experiments supporting our theoretical results. We believe our results will advance the theoretical understanding of OGDA and EG methods for solving complicated nonconvex minimax real-world problems, e.g., Generative Adversarial Networks (GANs) or robust neural networks training.

Machine learning (ML) formalizes the problem of getting computers to learn from experience as optimization of performance according to some metric(s) on a set of data examples. This is in contrast to requiring behaviour specified in advance (e.g. by hard-coded rules). Formalization of this problem has enabled great progress in many applications with large real-world impact, including translation, speech recognition, self-driving cars, and drug discovery. But practical instantiations of this formalism make many assumptions - for example, that data are i.i.d.: independent and identically distributed - whose soundness is seldom investigated. And in making great progress in such a short time, the field has developed many norms and ad-hoc standards, focused on a relatively small range of problem settings. As applications of ML, particularly in artificial intelligence (AI) systems, become more pervasive in the real world, we need to critically examine these assumptions, norms, and problem settings, as well as the methods that have become de-facto standards. There is much we still do not understand about how and why deep networks trained with stochastic gradient descent are able to generalize as well as they do, why they fail when they do, and how they will perform on out-of-distribution data. In this thesis I cover some of my work towards better understanding deep net generalization, identify several ways assumptions and problem settings fail to generalize to the real world, and propose ways to address those failures in practice.

Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them are significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. This allows us to provide approximation, stability, and descent guarantees. Moreover, our method automatically and dynamically adapts the ranks during training to achieve the desired approximation accuracy. The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.

The classical algorithms for online learning and decision-making have the benefit of achieving the optimal performance guarantees, but suffer from computational complexity limitations when implemented at scale. More recent sophisticated techniques, which we refer to as oracle-efficient methods, address this problem by dispatching to an offline optimization oracle that can search through an exponentially-large (or even infinite) space of decisions and select that which performed the best on any dataset. But despite the benefits of computational feasibility, oracle-efficient algorithms exhibit one major limitation: while performing well in worst-case settings, they do not adapt well to friendly environments. In this paper we consider two such friendly scenarios, (a) "small-loss" problems and (b) IID data. We provide a new framework for designing follow-the-perturbed-leader algorithms that are oracle-efficient and adapt well to the small-loss environment, under a particular condition which we call approximability (which is spiritually related to sufficient conditions provided by Dud\'{i}k et al., [2020]). We identify a series of real-world settings, including online auctions and transductive online classification, for which approximability holds. We also extend the algorithm to an IID data setting and establish a "best-of-both-worlds" bound in the oracle-efficient setting.

Complex high-dimensional co-occurrence data are increasingly popular from a complex system of interacting physical, biological and social processes in discretely indexed modifiable areal units or continuously indexed locations of a study region for landscape-based mechanism. Modeling, predicting and interpreting complex co-occurrences are very general and fundamental problems of statistical and machine learning in a broad variety of real-world modern applications. Probability and conditional probability of co-occurrence are introduced by being defined in a general setting with set functions to develop a rigorous measure-theoretic foundation for the inherent challenge of data sparseness. The data sparseness is a main challenge inherent to probabilistic modeling and reasoning of co-occurrence in statistical inference. The behavior of a class of natural integrals called E-integrals is investigated based on the defined conditional probability of co-occurrence. The results on the properties of E-integral are presented. The paper offers a novel measure-theoretic framework where E-integral as a basic measure-theoretic concept can be the starting point for the expectation functional approach preferred by Whittle (1992) and Pollard (2001) to the development of probability theory for the inherent challenge of co-occurrences emerging in modern high-dimensional co-occurrence data problems and opens the doors to more sophisticated and interesting research in complex high-dimensional co-occurrence data science.

In this paper, we show the arc length of the optimal ROC curve is an $f$-divergence. By leveraging this result, we express the arc length using a variational objective and estimate it accurately using positive and negative samples. We show this estimator has a non-parametric convergence rate $O_p(n^{-\beta/4})$ ($\beta \in (0,1]$ depends on the smoothness). Using the same technique, we show the surface area between the optimal ROC curve and the diagonal can be expressed via a similar variational objective. These new insights lead to a novel classification procedure that maximizes an approximate lower bound of the maximal AUC. Experiments on CIFAR-10 datasets show the proposed two-step procedure achieves good AUC performance in imbalanced binary classification tasks.

Having similar behavior at training time and test time $-$ what we call a "What You See Is What You Get" (WYSIWYG) property $-$ is desirable in machine learning. Models trained with standard stochastic gradient descent (SGD), however, do not necessarily have this property, as their complex behaviors such as robustness or subgroup performance can differ drastically between training and test time. In contrast, we show that Differentially-Private (DP) training provably ensures the high-level WYSIWYG property, which we quantify using a notion of distributional generalization. Applying this connection, we introduce new conceptual tools for designing deep-learning methods by reducing generalization concerns to optimization ones: to mitigate unwanted behavior at test time, it is provably sufficient to mitigate this behavior on the training data. By applying this novel design principle, which bypasses "pathologies" of SGD, we construct simple algorithms that are competitive with SOTA in several distributional-robustness applications, significantly improve the privacy vs. disparate impact trade-off of DP-SGD, and mitigate robust overfitting in adversarial training. Finally, we also improve on theoretical bounds relating DP, stability, and distributional generalization.

We consider optimizing two-layer neural networks in the mean-field regime where the learning dynamics of network weights can be approximated by the evolution in the space of probability measures over the weight parameters associated with the neurons. The mean-field regime is a theoretically attractive alternative to the NTK (lazy training) regime which is only restricted locally in the so-called neural tangent kernel space around specialized initializations. Several prior works (\cite{chizat2018global, mei2018mean}) establish the asymptotic global optimality of the mean-field regime, but it is still challenging to obtain a quantitative convergence rate due to the complicated unbounded nonlinearity of the training dynamics. This work establishes the first linear convergence result for vanilla two-layer neural networks trained by continuous-time noisy gradient descent in the mean-field regime. Our result relies on a novel time-depdendent estimate of the logarithmic Sobolev constants for a family of measures determined by the evolving distribution of hidden neurons.

Boosting is a fundamental approach in machine learning that enjoys both strong theoretical and practical guarantees. At a high-level, boosting algorithms cleverly aggregate weak learners to generate predictions with arbitrarily high accuracy. In this way, boosting algorithms convert weak learners into strong ones. Recently, Brukhim et al. extended boosting to the online agnostic binary classification setting. A key ingredient in their approach is a clean and simple reduction to online convex optimization, one that efficiently converts an arbitrary online convex optimizer to an agnostic online booster. In this work, we extend this reduction to multiclass problems and give the first boosting algorithm for online agnostic mutliclass classification. Our reduction also enables the construction of algorithms for statistical agnostic, online realizable, and statistical realizable multiclass boosting.

We consider conducting inference on the output of the Classification and Regression Tree (CART) [Breiman et al., 1984] algorithm. A naive approach to inference that does not account for the fact that the tree was estimated from the data will not achieve standard guarantees, such as Type 1 error rate control and nominal coverage. Thus, we propose a selective inference framework for conducting inference on a fitted CART tree. In a nutshell, we condition on the fact that the tree was estimated from the data. We propose a test for the difference in the mean response between a pair of terminal nodes that controls the selective Type 1 error rate, and a confidence interval for the mean response within a single terminal node that attains the nominal selective coverage. Efficient algorithms for computing the necessary conditioning sets are provided. We apply these methods in simulation and to a dataset involving the association between portion control interventions and caloric intake.

Online convex optimization (OCO) is a widely used framework in online learning. In each round, the learner chooses a decision in some convex set and an adversary chooses a convex loss function, and then the learner suffers the loss associated with their chosen decision. However, in many of the motivating applications the loss of the learner depends not only on the current decision but on the entire history of decisions until that point. The OCO framework and existing generalizations thereof fail to capture this. In this work we introduce a generalization of the OCO framework, ``Online Convex Optimization with Unbounded Memory'', that captures long-term dependence on past decisions. We introduce the notion of $p$-effective memory capacity, $H_p$, that quantifies the maximum influence of past decisions on current losses. We prove a $O(\sqrt{H_1 T})$ policy regret bound and a stronger $O(\sqrt{H_p T})$ policy regret bound under mild additional assumptions. These bounds are optimal in terms of their dependence on the time horizon $T$. We show the broad applicability of our framework by using it to derive regret bounds, and to simplify existing regret bound derivations, for a variety of online learning problems including an online variant of performative prediction and online linear control.

Despite the great empirical success of actor-critic methods, its finite-time convergence is still poorly understood in its most practical form. In particular, the analysis of single-timescale actor-critic presents significant challenges due to the highly inaccurate critic estimation and the complex error propagation dynamics over iterations. Existing works on analyzing single-timescale actor-critic only focus on the i.i.d. sampling or tabular setting for simplicity, which is rarely the case in practical applications. We consider the more practical online single-timescale actor-critic algorithm on continuous state space, where the critic is updated with a single Markovian sample per actor step. We prove that the online single-timescale actor-critic method is guaranteed to find an $\epsilon$-approximate stationary point with $\widetilde{\mathcal{O}}(\epsilon^{-2})$ sample complexity under standard assumptions, which can be further improved to $\mathcal{O}(\epsilon^{-2})$ under i.i.d. sampling. Our analysis develops a novel framework that evaluates and controls the error propagation between actor and critic in a systematic way. To our knowledge, this is the first finite-time analysis for online single-timescale actor-critic method. Overall, our results compare favorably to the existing literature on analyzing actor-critic in terms of considering the most practical settings and requiring weaker assumptions.

We present consistent algorithms for multiclass learning with complex performance metrics and constraints, where the objective and constraint are defined by arbitrary functions of the confusion matrix. This setting includes many common performance metrics such as the multiclass G-mean and micro F1-measure, and constraints such as those on the classifier's precision and recall and more recent measures of fairness discrepancy. We give a general framework for designing consistent algorithms for such complex design goals by viewing the learning problem as an optimization problem over the set of feasible confusion matrices. We provide multiple instantiations of our framework under different assumptions on the performance metrics and constraints, and in each case show rates of convergence to the optimal (feasible) classifier (and this asymptotic consistency). Experiments on a variety of multiclass classification and fairness-constrained problems show that our algorithms compare favorably to the state-of-the-art baselines.

Solving for adversarial examples with projected gradient descent has been demonstrated to be highly effective in fooling the neural network based classifiers. However, in the black-box setting, the attacker is limited only to the query access to the network and solving for a successful adversarial example becomes much more difficult. To this end, recent methods aim at estimating the true gradient signal based on the input queries but at the cost of excessive queries. We propose an efficient discrete surrogate to the optimization problem which does not require estimating the gradient and consequently becomes free of the first order update hyperparameters to tune. Our experiments on Cifar-10 and ImageNet show the state of the art black-box attack performance with significant reduction in the required queries compared to a number of recently proposed methods. The source code is available at https://github.com/snu-mllab/parsimonious-blackbox-attack.

The classical Perceptron algorithm of Rosenblatt can be used to find a linear threshold function to correctly classify $n$ linearly separable data points, assuming the classes are separated by some margin $\gamma > 0$. A foundational result is that Perceptron converges after $\Omega(1/\gamma^{2})$ iterations. There have been several recent works that managed to improve this rate by a quadratic factor, to $\Omega(\sqrt{\log n}/\gamma)$, with more sophisticated algorithms. In this paper, we unify these existing results under one framework by showing that they can all be described through the lens of solving min-max problems using modern acceleration techniques, mainly through optimistic online learning. We then show that the proposed framework also lead to improved results for a series of problems beyond the standard Perceptron setting. Specifically, a) For the margin maximization problem, we improve the state-of-the-art result from $O(\log t/t^2)$ to $O(1/t^2)$, where $t$ is the number of iterations; b) We provide the first result on identifying the implicit bias property of the classical Nesterov's accelerated gradient descent (NAG) algorithm, and show NAG can maximize the margin with an $O(1/t^2)$ rate; c) For the classical $p$-norm Perceptron problem, we provide an algorithm with $\Omega(\sqrt{(p-1)\log n}/\gamma)$ convergence rate, while existing algorithms suffer the $\Omega({(p-1)}/\gamma^2)$ convergence rate.

Due to spurious correlations, machine learning systems often fail to generalize to environments whose distributions differ from the ones used at training time. Prior work addressing this, either explicitly or implicitly, attempted to find a data representation that has an invariant relationship with the target. This is done by leveraging a diverse set of training environments to reduce the effect of spurious features and build an invariant predictor. However, these methods have generalization guarantees only when both data representation and classifiers come from a linear model class. We propose invariant Causal Representation Learning (iCaRL), an approach that enables out-of-distribution (OOD) generalization in the nonlinear setting (i.e., nonlinear representations and nonlinear classifiers). It builds upon a practical and general assumption: the prior over the data representation (i.e., a set of latent variables encoding the data) given the target and the environment belongs to general exponential family distributions. Based on this, we show that it is possible to identify the data representation up to simple transformations. We also prove that all direct causes of the target can be fully discovered, which further enables us to obtain generalization guarantees in the nonlinear setting. Extensive experiments on both synthetic and real-world datasets show that our approach outperforms a variety of baseline methods. Finally, in the discussion, we further explore the aforementioned assumption and propose a more general hypothesis, called the Agnostic Hypothesis: there exist a set of hidden causal factors affecting both inputs and outcomes. The Agnostic Hypothesis can provide a unifying view of machine learning. More importantly, it can inspire a new direction to explore a general theory for identifying hidden causal factors, which is key to enabling the OOD generalization guarantees.

Gradient Descent (GD) is a powerful workhorse of modern machine learning thanks to its scalability and efficiency in high-dimensional spaces. Its ability to find local minimisers is only guaranteed for losses with Lipschitz gradients, where it can be seen as a `bona-fide' discretisation of an underlying gradient flow. Yet, many ML setups involving overparametrised models do not fall into this problem class, which has motivated research beyond the so-called ``Edge of Stability'' (EoS), where the step-size crosses the admissibility threshold inversely proportional to the Lipschitz constant above. Perhaps surprisingly, GD has been empirically observed to still converge regardless of local instability and oscillatory behavior. The incipient theoretical analysis of this phenomena has mainly focused in the overparametrised regime, where the effect of choosing a large learning rate may be associated to a `Sharpness-Minimisation' implicit regularisation within the manifold of minimisers, under appropriate asymptotic limits. In contrast, in this work we directly examine the conditions for such unstable convergence, focusing on simple, yet representative, learning problems. Specifically, we characterize a local condition involving third-order derivatives that stabilizes oscillations of GD above the EoS, and leverage such property in a teacher-student setting, under population loss. Finally, focusing on Matrix Factorization, we establish a non-asymptotic `Local Implicit Bias' of GD above the EoS, whereby quasi-symmetric initializations converge to symmetric solutions -- where sharpness is minimum amongst all minimisers.

Although evaluation of the expectations on the Ising model is essential in various applications, it is mostly infeasible because of intractable multiple summations. Spatial Monte Carlo integration (SMCI) is a sampling-based approximation. It can provide high-accuracy estimations for such intractable expectations. To evaluate the expectation of a function of variables in a specific region (called target region), SMCI considers a larger region containing the target region (called sum region). In SMCI, the multiple summation for the variables in the sum region is precisely executed, and that in the outer region is evaluated by the sampling approximation such as the standard Monte Carlo integration. It is guaranteed that the accuracy of the SMCI estimator improves monotonically as the size of the sum region increases. However, a haphazard expansion of the sum region could cause a combinatorial explosion. Therefore, we hope to improve the accuracy without such an expansion. In this paper, based on the theory of generalized least squares (GLS), a new effective method is proposed by combining multiple SMCI estimators. The validity of the proposed method is demonstrated theoretically and numerically. The results indicate that the proposed method can be effective in the inverse Ising problem (or Boltzmann machine learning).

Neighbor embeddings are a family of methods for visualizing complex high-dimensional datasets using $k$NN graphs. To find the low-dimensional embedding, these algorithms combine an attractive force between neighboring pairs of points with a repulsive force between all points. One of the most popular examples of such algorithms is t-SNE. Here we empirically show that changing the balance between the attractive and the repulsive forces in t-SNE using the exaggeration parameter yields a spectrum of embeddings, which is characterized by a simple trade-off: stronger attraction can better represent continuous manifold structures, while stronger repulsion can better represent discrete cluster structures and yields higher $k$NN recall. We find that UMAP embeddings correspond to t-SNE with increased attraction; mathematical analysis shows that this is because the negative sampling optimisation strategy employed by UMAP strongly lowers the effective repulsion. Likewise, ForceAtlas2, commonly used for visualizing developmental single-cell transcriptomic data, yields embeddings corresponding to t-SNE with the attraction increased even more. At the extreme of this spectrum lie Laplacian Eigenmaps. Our results demonstrate that many prominent neighbor embedding algorithms can be placed onto the attraction-repulsion spectrum, and highlight the inherent trade-offs between them.

Bayesian Additive Regression Trees (BART) is a popular Bayesian non-parametric regression algorithm. The posterior is a distribution over sums of decision trees, and predictions are made by averaging approximate samples from the posterior. The combination of strong predictive performance and the ability to provide uncertainty measures has led BART to be commonly used in the social sciences, biostatistics, and causal inference. BART uses Markov Chain Monte Carlo (MCMC) to obtain approximate posterior samples over a parameterized space of sums of trees, but it has often been observed that the chains are slow to mix. In this paper, we provide the first lower bound on the mixing time for a simplified version of BART in which we reduce the sum to a single tree and use a subset of the possible moves for the MCMC proposal distribution. Our lower bound for the mixing time grows exponentially with the number of data points. Inspired by this new connection between the mixing time and the number of data points, we perform rigorous simulations on BART. We show qualitatively that BART's mixing time increases with the number of data points. The slow mixing time of the simplified BART suggests a large variation between different runs of the simplified BART algorithm and a similar large variation is known for BART in the literature. This large variation could result in a lack of stability in the models, predictions, and posterior intervals obtained from the BART MCMC samples. Our lower bound and simulations suggest increasing the number of chains with the number of data points.

The vulnerability of Deep Neural Networks to Adversarial Attacks has fuelled research towards building robust models. While most Adversarial Training algorithms aim at defending attacks constrained within low magnitude Lp norm bounds, real-world adversaries are not limited by such constraints. In this work, we aim to achieve adversarial robustness within larger bounds, against perturbations that may be perceptible, but do not change human (or Oracle) prediction. The presence of images that flip Oracle predictions and those that do not makes this a challenging setting for adversarial robustness. We discuss the ideal goals of an adversarial defense algorithm beyond perceptual limits, and further highlight the shortcomings of naively extending existing training algorithms to higher perturbation bounds. In order to overcome these shortcomings, we propose a novel defense, Oracle-Aligned Adversarial Training (OA-AT), to align the predictions of the network with that of an Oracle during adversarial training. The proposed approach achieves state-of-the-art performance at large epsilon bounds (such as an L-inf bound of 16/255 on CIFAR-10) while outperforming existing defenses (AWP, TRADES, PGD-AT) at standard bounds (8/255) as well.

Despite the great promise of quantum machine learning models, there are several challenges one must overcome before unlocking their full potential. For instance, models based on quantum neural networks (QNNs) can suffer from excessive local minima and barren plateaus in their training landscapes. Recently, the nascent field of geometric quantum machine learning (GQML) has emerged as a potential solution to some of those issues. The key insight of GQML is that one should design architectures, such as equivariant QNNs, encoding the symmetries of the problem at hand. Here, we focus on problems with permutation symmetry (i.e., the group of symmetry $S_n$), and show how to build $S_n$-equivariant QNNs. We provide an analytical study of their performance, proving that they do not suffer from barren plateaus, quickly reach overparametrization, and can generalize well from small amounts of data. To verify our results, we perform numerical simulations for a graph state classification task. Our work provides the first theoretical guarantees for equivariant QNNs, thus indicating the extreme power and potential of GQML.

While modern machine learning models rely on increasingly large training datasets, data is often limited in privacy-sensitive domains. Generative models trained with differential privacy (DP) on sensitive data can sidestep this challenge, providing access to synthetic data instead. However, training DP generative models is highly challenging due to the noise injected into training to enforce DP. We propose to leverage diffusion models (DMs), an emerging class of deep generative models, and introduce Differentially Private Diffusion Models (DPDMs), which enforce privacy using differentially private stochastic gradient descent (DP-SGD). We motivate why DP-SGD is well suited for training DPDMs, and thoroughly investigate the DM parameterization and the sampling algorithm, which turn out to be crucial ingredients in DPDMs. Furthermore, we propose noise multiplicity, a simple yet powerful modification of the DM training objective tailored to the DP setting to boost performance. We validate our novel DPDMs on widely-used image generation benchmarks and achieve state-of-the-art (SOTA) performance by large margins. For example, on MNIST we improve the SOTA FID from 48.4 to 5.01 and downstream classification accuracy from 83.2% to 98.1% for the privacy setting DP-$(\varepsilon{=}10, \delta{=}10^{-5})$. Moreover, on standard benchmarks, classifiers trained on DPDM-generated synthetic data perform on par with task-specific DP-SGD-trained classifiers, which has not been demonstrated before for DP generative models. Project page and code: https://nv-tlabs.github.io/DPDM.

We prove an impossibility result, which in the context of function learning says the following: under certain conditions, it is impossible to simultaneously learn symmetries and functions equivariant under them using an ansatz consisting of equivariant functions. To formalize this statement, we carefully study notions of approximation for groups and semigroups. We analyze certain families of neural networks for whether they satisfy the conditions of the impossibility result: what we call ``linearly equivariant'' networks, and group-convolutional networks. A lot can be said precisely about linearly equivariant networks, making them theoretically useful. On the practical side, our analysis of group-convolutional neural networks allows us generalize the well-known ``convolution is all you need'' theorem to non-homogeneous spaces. We additionally find an important difference between group convolution and semigroup convolution.

We study differentially private (DP) stochastic optimization (SO) with data containing outliers and loss functions that are (possibly) not Lipschitz continuous. To date, the vast majority of work on DP SO assumes that the loss is uniformly Lipschitz over data (i.e. stochastic gradients are uniformly bounded over all data points). While this assumption is convenient, it is often unrealistic: in many practical problems, the loss function may not be uniformly Lipschitz. Even when the loss function is Lipschitz continuous, the worst-case Lipschitz parameter of the loss over all data points may be extremely large due to outliers. In such cases, the error bounds for DP SO, which scale with the worst-case Lipschitz parameter of the loss, are vacuous. To address these limitations, this work does not require the loss function to be uniformly Lipschitz. Instead, building on a recent line of work [WXDX20, KLZ22], we make the weaker assumption that stochastic gradients have bounded $k$-th order moments for some $k \geq 2$. Compared with works on DP Lipschitz SO, our excess risk scales with the $k$-th moment bound instead of the Lipschitz parameter of the loss, allowing for significantly faster rates in the presence of outliers. For convex and strongly convex loss functions, we provide the first asymptotically optimal excess risk bounds (up to a logarithmic factor). In contrast to the prior works, our bounds do not require the loss function to be differentiable/smooth. We also devise an accelerated algorithm for smooth losses that runs in linear time and has excess risk that is tight in certain practical parameter regimes. Additionally, our work is the first to address non-convex non-Lipschitz loss functions satisfying the Proximal-PL inequality; this covers some practical machine learning models. Our Proximal-PL algorithm has near-optimal excess risk.

The goal of robust reinforcement learning (RL) is to learn a policy that is robust against the uncertainty in model parameters. Parameter uncertainty commonly occurs in many real-world RL applications due to simulator modeling errors, changes in the real-world system dynamics over time, and adversarial disturbances. Robust RL is typically formulated as a max-min problem, where the objective is to learn the policy that maximizes the value against the worst possible models that lie in an uncertainty set. In this work, we propose a robust RL algorithm called Robust Fitted Q-Iteration (RFQI), which uses only an offline dataset to learn the optimal robust policy. Robust RL with offline data is significantly more challenging than its non-robust counterpart because of the minimization over all models present in the robust Bellman operator. This poses challenges in offline data collection, optimization over the models, and unbiased estimation. In this work, we propose a systematic approach to overcome these challenges, resulting in our RFQI algorithm. We prove that RFQI learns a near-optimal robust policy under standard assumptions and demonstrate its superior performance on standard benchmark problems.

We propose a novel regularizer for supervised learning called Conditioning on Noisy Targets (CNT). This approach consists in conditioning the model on a noisy version of the target(s) (e.g., actions in imitation learning or labels in classification) at a random noise level (from small to large noise). At inference time, since we do not know the target, we run the network with only noise in place of the noisy target. CNT provides hints through the noisy label (with less noise, we can more easily infer the true target). This give two main benefits: 1) the top-down feedback allows the model to focus on simpler and more digestible sub-problems and 2) rather than learning to solve the task from scratch, the model will first learn to master easy examples (with less noise), while slowly progressing toward harder examples (with more noise).

We develop a novel framework to accelerate Gaussian process regression (GPR). In particular, we consider localization kernels at each data point to down-weigh the contributions from other data points that are far away, and we derive the GPR model stemming from the application of such localization operation. Through a set of experiments, we demonstrate the competitive performance of the proposed approach compared to full GPR, other localized models, and deep Gaussian processes. Crucially, these performances are obtained with considerable speedups compared to standard global GPR due to the sparsification effect of the Gram matrix induced by the localization operation.

By inferring latent groups in the training data, recent works introduce invariant learning to the case where environment annotations are unavailable. Typically, learning group invariance under a majority/minority split is empirically shown to be effective in improving out-of-distribution generalization on many datasets. However, theoretical guarantee for these methods on learning invariant mechanisms is lacking. In this paper, we reveal the insufficiency of existing group invariant learning methods in preventing classifiers from depending on spurious correlations in the training set. Specifically, we propose two criteria on judging such sufficiency. Theoretically and empirically, we show that existing methods can violate both criteria and thus fail in generalizing to spurious correlation shifts. Motivated by this, we design a new group invariant learning method, which constructs groups with statistical independence tests, and reweights samples by group label proportion to meet the criteria. Experiments on both synthetic and real data demonstrate that the new method significantly outperforms existing group invariant learning methods in generalizing to spurious correlation shifts.

The estimation of causal effects is a primary goal of behavioral, social, economic and biomedical sciences. Under the unconfoundedness condition, adjustment for confounders requires estimating the nuisance functions relating outcome and/or treatment to confounders. This paper considers a generalized optimization framework for efficient estimation of general treatment effects using feedforward artificial neural networks (ANNs) when the number of covariates is allowed to increase with the sample size. We estimate the nuisance function by ANNs, and develop a new approximation error bound for the ANNs approximators when the nuisance function belongs to a mixed Sobolev space. We show that the ANNs can alleviate the curse of dimensionality under this circumstance. We further establish the consistency and asymptotic normality of the proposed treatment effects estimators, and apply a weighted bootstrap procedure for conducting inference. The proposed methods are illustrated via simulation studies and a real data application.

Supervised transfer learning (TL) has received considerable attention because of its potential to boost the predictive power of machine learning in cases with limited data. In a conventional scenario, cross-domain differences are modeled and estimated using a given set of source models and samples from a target domain. For example, if there is a functional relationship between source and target domains, only domain-specific factors are additionally learned using target samples to shift the source models to the target. However, the general methodology for modeling and estimating such cross-domain shifts has been less studied. This study presents a TL framework that simultaneously and separately estimates domain shifts and domain-specific factors using given target samples. Assuming consistency and invertibility of the domain transformation functions, we derive an optimal family of functions to represent the cross-domain shift. The newly derived class of transformation functions takes the same form as invertible neural networks using affine coupling layers, which are widely used in generative deep learning. We show that the proposed method encompasses a wide range of existing methods, including the most common TL procedure based on feature extraction using neural networks. We also clarify the theoretical properties of the proposed method, such as the convergence rate of the generalization error, and demonstrate the practical benefits of separately modeling and estimating domain-specific factors through several case studies.

A key challenge in the practical application of Gaussian processes (GPs) is selecting a proper covariance function. The moving average, or process convolutions, construction of GPs allows some additional flexibility, but still requires choosing a proper smoothing kernel, which is non-trivial. Previous approaches have built covariance functions by using GP priors over the smoothing kernel, and by extension the covariance, as a way to bypass the need to specify it in advance. However, such models have been limited in several ways: they are restricted to single dimensional inputs, e.g. time; they only allow modelling of single outputs and they do not scale to large datasets since inference is not straightforward. In this paper, we introduce a nonparametric process convolution formulation for GPs that alleviates these weaknesses by using a functional sampling approach based on Matheron's rule to perform fast sampling using interdomain inducing variables. Furthermore, we propose a composition of these nonparametric convolutions that serves as an alternative to classic deep GP models, and allows the covariance functions of the intermediate layers to be inferred from the data. We test the performance of our model on benchmarks for single output GPs, multiple output GPs and deep GPs and find that our approach can provide improvements over standard GP models, particularly for larger datasets.  ( 3 min )

Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to predict the causal structure from observational or interventional data. This allows us to bypass both the search over graphs and the hand-engineering of suitable score functions. Instead, our inference model acquires domain-specific inductive biases for causal discovery solely from data generated by a simulator. The architecture of our inference model emulates permutation invariances that are crucial for statistical efficiency in structure learning, which facilitates generalization to significantly larger problem instances than seen during training. On synthetic data and semisynthetic gene expression data, our models exhibit robust generalization capabilities when subject to substantial distribution shifts and significantly outperform existing algorithms, especially in the challenging genomics domain. Our code and models are publicly available at: https://github.com/larslorch/avici.  ( 2 min )

Gaussian Bayesian networks (a.k.a. linear Gaussian structural equation models) are widely used to model causal interactions among continuous variables. In this work, we study the problem of learning a fixed-structure Gaussian Bayesian network up to a bounded error in total variation distance. We analyze the commonly used node-wise least squares regression (LeastSquares) and prove that it has a near-optimal sample complexity. We also study a couple of new algorithms for the problem: - BatchAvgLeastSquares takes the average of several batches of least squares solutions at each node, so that one can interpolate between the batch size and the number of batches. We show that BatchAvgLeastSquares also has near-optimal sample complexity. - CauchyEst takes the median of solutions to several batches of linear systems at each node. We show that the algorithm specialized to polytrees, CauchyEstTree, has near-optimal sample complexity. Experimentally, we show that for uncontaminated, realizable data, the LeastSquares algorithm performs best, but in the presence of contamination or DAG misspecification, CauchyEst/CauchyEstTree and BatchAvgLeastSquares respectively perform better.  ( 3 min )

In this paper, we propose an ensemble learning algorithm named \textit{bagged $k$-distance for mode-based clustering} (\textit{BDMBC}) by putting forward a new measurement called the \textit{probability of localized level sets} (\textit{PLLS}), which enables us to find all clusters for varying densities with a global threshold. On the theoretical side, we show that with a properly chosen number of nearest neighbors $k_D$ in the bagged $k$-distance, the sub-sample size $s$, the bagging rounds $B$, and the number of nearest neighbors $k_L$ for the localized level sets, BDMBC can achieve optimal convergence rates for mode estimation. It turns out that with a relatively small $B$, the sub-sample size $s$ can be much smaller than the number of training data $n$ at each bagging round, and the number of nearest neighbors $k_D$ can be reduced simultaneously. Moreover, we establish optimal convergence results for the level set estimation of the PLLS in terms of Hausdorff distance, which reveals that BDMBC can find localized level sets for varying densities and thus enjoys local adaptivity. On the practical side, we conduct numerical experiments to empirically verify the effectiveness of BDMBC for mode estimation and level set estimation, which demonstrates the promising accuracy and efficiency of our proposed algorithm.  ( 2 min )

We consider Contextual Bandits with Concave Rewards (CBCR), a multi-objective bandit problem where the desired trade-off between the rewards is defined by a known concave objective function, and the reward vector depends on an observed stochastic context. We present the first algorithm with provably vanishing regret for CBCR without restrictions on the policy space, whereas prior works were restricted to finite policy spaces or tabular representations. Our solution is based on a geometric interpretation of CBCR algorithms as optimization algorithms over the convex set of expected rewards spanned by all stochastic policies. Building on Frank-Wolfe analyses in constrained convex optimization, we derive a novel reduction from the CBCR regret to the regret of a scalar-reward bandit problem. We illustrate how to apply the reduction off-the-shelf to obtain algorithms for CBCR with both linear and general reward functions, in the case of non-combinatorial actions. Motivated by fairness in recommendation, we describe a special case of CBCR with rankings and fairness-aware objectives, leading to the first algorithm with regret guarantees for contextual combinatorial bandits with fairness of exposure.  ( 2 min )

We propose a novel communication design, termed random orthogonalization, for federated learning (FL) in a massive multiple-input and multiple-output (MIMO) wireless system. The key novelty of random orthogonalization comes from the tight coupling of FL and two unique characteristics of massive MIMO -- channel hardening and favorable propagation. As a result, random orthogonalization can achieve natural over-the-air model aggregation without requiring transmitter side channel state information (CSI) for the uplink phase of FL, while significantly reducing the channel estimation overhead at the receiver. We extend this principle to the downlink communication phase and develop a simple but highly effective model broadcast method for FL. We also relax the massive MIMO assumption by proposing an enhanced random orthogonalization design for both uplink and downlink FL communications, that does not rely on channel hardening or favorable propagation. Theoretical analyses with respect to both communication and machine learning performance are carried out. In particular, an explicit relationship among the convergence rate, the number of clients, and the number of antennas is established. Experimental results validate the effectiveness and efficiency of random orthogonalization for FL in massive MIMO.  ( 2 min )

Persistent homology is a fundamental methodology from topological data analysis that summarizes the lifetimes of topological features within a dataset as a persistence diagram; it has recently gained much popularity from its myriad successful applications to many domains. However, a significant challenge to its widespread implementation, especially in statistical methodology and machine learning algorithms, is the format of the persistence diagram as a multiset of half-open intervals. In this paper, we comprehensively study $k$-means clustering where the input is various embeddings of persistence diagrams, as well as persistence diagrams themselves and their generalizations as persistence measures. We show that the clustering performance directly on persistence diagrams and measures far outperform their vectorized representations, despite their more complex representations. Moreover, we prove convergence of the algorithm on persistence diagram space and establish theoretical properties of the solution to the optimization problem in the Karush--Kuhn--Tucker framework.  ( 2 min )

In many real world problems, the training data and test data have different distributions. This situation is commonly referred as a dataset shift. The most common settings for dataset shift often considered in the literature are {\em covariate shift } and {\em target shift}. Importance weighting (IW) correction is a universal method for correcting the bias present in learning scenarios under dataset shift. The question one may ask is: does IW correction work equally well for different dataset shift scenarios? By investigating the generalization properties of the weighted kernel ridge regression (W-KRR) under covariate and target shifts we show that the answer is negative, except when IW is bounded and the model is wellspecified. In the latter cases, a minimax optimal rates are achieved by importance weighted kernel ridge regression (IW-KRR) in both, covariate and target shift scenarios. Slightly relaxing the boundedness condition of the IW we show that the IW-KRR still achieves the optimal rates under target shift while leading to slower rates for covariate shift. In the case of the model misspecification we show that the performance of the W-KRR under covariate shift could be substantially increased by designing an alternative reweighting function. The distinction between misspecified and wellspecified scenarios does not seem to be crucial in the learning problems under target shift.  ( 3 min )

We study the problem of PAC learning a single neuron in the presence of Massart noise. Specifically, for a known activation function $f: \mathbb{R} \to \mathbb{R}$, the learner is given access to labeled examples $(\mathbf{x}, y) \in \mathbb{R}^d \times \mathbb{R}$, where the marginal distribution of $\mathbf{x}$ is arbitrary and the corresponding label $y$ is a Massart corruption of $f(\langle \mathbf{w}, \mathbf{x} \rangle)$. The goal of the learner is to output a hypothesis $h: \mathbb{R}^d \to \mathbb{R}$ with small squared loss. For a range of activation functions, including ReLUs, we establish super-polynomial Statistical Query (SQ) lower bounds for this learning problem. In more detail, we prove that no efficient SQ algorithm can approximate the optimal error within any constant factor. Our main technical contribution is a novel SQ-hard construction for learning $\{ \pm 1\}$-weight Massart halfspaces on the Boolean hypercube that is interesting on its own right.  ( 2 min )

GPT-3 and the multitude of similar models that have come out over the last couple years likely represent a serious threat to scientific conferences. What can we do about it? Some historical context: computer-generated papers have been showing up in major publications since a model called SCIgen released in 2005. SCIgen uses a simple context-free grammar to produce templatized papers that are basically pseudo-scientific gibberish. People are still finding those papers many years later. These papers are generally churned out to inflate citation statistics, or by well-meaning researchers probing suspected low publication standards at existing conferences (which I generally don’t recommend, since it adds to the mountains of paper that we have to churn through as reviewers). There’s a neglig…  ( 126 min )

Project page: https://yanjieze.com/3d4rl/ https://reddit.com/link/y7l4fg/video/25479kzr5nu91/player submitted by /u/TheLastRefugee [link] [comments]  ( 125 min )

Paper: https://dl.acm.org/doi/10.1145/3503161.3548287 Project Page: https://roychowdhuryresearch.github.io/ODMO_ACMMM2022/ Github: https://github.com/roychowdhuryresearch/ODMO ​ ​ https://reddit.com/link/y7jdz4/video/rqdi20lntmu91/player submitted by /u/CapurLu [link] [comments]  ( 125 min )

I have mass amount of log files from various products, they might contain passwords or tokens. Obviously there is no single pattern to identify them. I know that amazon comprehend can detect some passwords, but instead of building my own model, it feels like there is someone in the world who encountered this, is there any tool / library that performs this logic? submitted by /u/Arik1313 [link] [comments]  ( 125 min )

I recently wrote an ONNX model analysis tool as a means of exploring the ONNX format. It's capable of summarizing key model stats and creating visualizations - all from your terminal! https://reddit.com/link/y79lng/video/8ik0283bnku91/player Check it out here: https://github.com/FL33TW00D/steelix Disclaimer: It's very much early days and may not work 100% for your model! submitted by /u/BlockDesigns [link] [comments]  ( 124 min )

Need to teach a bunch of radiologists how to annotate the region of interest in an image for a segmentation task. I have been using the VGG online tool, but now, we need something that's easier and does not require as many clicks to get the work done. What's a good option for that? We had a look at solutions from Plainsight.ai and Labelbox. Are there any other alternatives? submitted by /u/l34df4rm3r [link] [comments]  ( 123 min )

Hi all, Just want to share my recent experience with you. I'm an ML engineer have 4 years of experience mostly with NLP. Recently I needed a remote job so I applied to company X which claims they hire the top 3% (No one knows how they got this number). I applied two times, the first time passed the coding test and failed in the technical interview cause I wasn't able to solve 2 questions within 30min (solved the first one and the second almost got it before the time is up). Second Trial: I acknowledged my weaknesses and grinded Leetcode for a while (since this is what only matters these days to get a job), and applied again, this time I moved to the Technical Interview phase directly, again chatted a bit (doesn't matter at all what you will say about our experience) and he gave me a dat…  ( 155 min )

Sharing our paper accepted at NeurIPS: Automatic Differentiation of Programs with Discrete Randomness A summary is given in a Twitter thread. It goes into a high-level of how the method works. The core idea behind the paper is the following: if we treat a program as a random variable X(p), can we come up with a similar number definition such that we get two random variables, (X(p),Y(p)), such that E[Y(p)] = dE[X(p)]/dp? We give a detailed derivation of how to do this properly. This method gives an unbiased, low variance, and fully automatic method for automatic differentiation of such programs. A fairly optimized implementation of the method is available as an open-source package: https://github.com/gaurav-arya/StochasticAD.jl There are still many things to do in this area. For example, from this it should be easy to train neural networks to generate differential equations of mean behavior over time which match the statistics of an agent-based model, but we can't say we've tried all of the applications. Also, there's a lot more to do in terms of compiler optimizations for this new AD system. But, even if you don't use it, the idea is fun and cool and you should check it out! submitted by /u/ChrisRackauckas [link] [comments]  ( 130 min )

Hi, Wanted to share a new tutorial that shows how to apply advanced XAI with the pytorch-grad-cam package, on all (or most of the?) vision models in HuggingFace. https://jacobgil.github.io/pytorch-gradcam-book/HuggingFace.html Applying XAI on a new model architecture with pytorch-grad-cam often involves understanding how the internal activations are shaped, and creating a reshape transform that brings them to a canonical expected shape that can be used for visualization. The goal here is to make XAI available for the new complex models and make it a real world tool that can be easily applied. submitted by /u/jacobgil [link] [comments]  ( 129 min )

Just like the title, what kind of classification model would help with detecting diffusion-created fake images? Is there anything specific that such images have, that will help the classifier learn about it? (not the watermarks, as anyone can get rid of them while creating the images). Also, what kind of classifier would help with classifying between diffusion-created fakes and GAN-created fakes? submitted by /u/Top-Crab8018 [link] [comments]  ( 126 min )

(posting this on behalf of my cofounder: Amin Ahmad). A friend of mine asked me recently why I decided to start Vectara? Now that we’ve left stealth mode and launched publicly, I thought some of you might also be wondering, and so I hope the following paragraphs will serve to provide insight into those reasons. You are probably aware that the 2010s were marked by rapid advances in artificial intelligence, fueled by the dominance of deep neural networks as the tool of choice for machine learning. Perhaps no field advanced as rapidly as language understanding, which, at the dawn of the decade and despite the existence of a huge body of linguistics research and decades of sustained effort, could not pretend to the feats of comprehension regularly displayed by young children. Around 2016, m…  ( 126 min )

Guys, Here is an idea about how memory really works. Because we say really, there will be no arithmetical operations, i.e. +-\/*, involved, let alone their complex like gradient descent; it is supposed to be purely biological. The whole idea will be solely built on a long-proven neurochemical mechanism, synaptic plasticity, which says that the synaptic strength between two neurons enhances or weakens over time, in response to their simultaneous firing. Or simply, "neurons that fire together wire together". Let us suppose that a neural network has two neurons A and B, and neuron A has a synaptic connection to neuron B. Now, for the stimulus on neuron A to make the two neurons fire together, the stimulus must trigger neuron A to fire, and afterward, the synaptic connection must transmit th…  ( 140 min )

I'm an undergrad coming from an applied mathematics background, and have been fascinated by mathematical approaches to the foundations of deep learning and ML in general (e.g., geometric deep learning, Ising models). I'm currently working on a research project which is highly mathematical in flavour, and I was wondering if there are conferences, tracks, and/or journals geared towards more theoretical/mathematical results. Would also be great to hear about how such results might be received at major ML conferences like ICML. Thanks! submitted by /u/vajraadhvan [link] [comments]  ( 130 min )

So suppose we have been given an image and we have to return number of objects of each class present in that image. Does going by conventional route ,i.e. firstly finding purpose boxes and then applying classification, is better than directly applying object detection architectures like YOLO and SSD.I know these architectures are relatively faster but in my case training or predicting time is not an issue at all. For context, the image is different types of grains scattered on ground. Any comment or suggestion would be much appreciated. submitted by /u/baby_yoda_fangay [link] [comments]  ( 126 min )

Generalized functions have generalized derivatives. This is how we make sense of things like delta “functions” that are not functions, or functions that are not differentiable satisfying a differential equation. More on that here. A major theme in the modern approach to partial differential equations is to first look for solutions in a space of […] Trading generalized derivatives for classical ones first appeared on John D. Cook.  ( 5 min )

The Galilean moons are the four largest moons of Jupiter, first observed by Galileo, contra Stigler’s law of eponymy. This post shows what the Jovian system look like from the perspective of each of these moons, a sort of pre-Copernican perspective in a Jovian context. The view from Io Here’s what Europa would look like […] The view from a Galilean moon first appeared on John D. Cook.  ( 5 min )

The genius of Copernicus was to realize that this plot becomes this plot under a clever change of coordinates. The first plot is the apparent motion of Mars, Jupiter, and Saturn as viewed from Earth over the course of 30 years. Of course Copernicus knew of Mercury and Venus as well, but I’ve omitted them […] What if Copernicus had been a Martian? first appeared on John D. Cook.  ( 4 min )

Project page: https://yanjieze.com/3d4rl/ https://reddit.com/link/y7l06v/video/xvqf5nvu4nu91/player submitted by /u/TheLastRefugee [link] [comments]  ( 118 min )

This is a follow up on my previous post REINFORCE on Frozen Lake, in which I needed help to see whether my state representation was correct or not. There was a comment suggesting to use one-hot representations for my state and feature vectors but for some reason that comment got removed. I applied those changes and my agent yet fails. Tried applying grid search for the learning rates of w (value function parameter) and theta (policy parameter), but the agent just seems to be behaving randomly. Any ideas why? This is the colab notebook in case anyone wants to view it. ​ PS: New to reddit, so my apologies if I'm breaking any guidelines and do let me know if I am doing so ​ https://preview.redd.it/rl27lhn3zlu91.png?width=844&format=png&auto=webp&s=e8060c7f5541cc26dabe40b3c77ce8af4dded1c9 https://preview.redd.it/mipxogn3zlu91.png?width=1188&format=png&auto=webp&s=edc98417553704e209e325e31b2cc354db3eab4f https://preview.redd.it/6z68nhn3zlu91.png?width=1663&format=png&auto=webp&s=8792df9213208e0796afd9ef5cc8ceadbd5186b1 https://preview.redd.it/vv0knjn3zlu91.png?width=868&format=png&auto=webp&s=5a4e8159795130e6a087a26a627cb5f72de32760 submitted by /u/anuraagshankar [link] [comments]  ( 118 min )

I'm wondering if there are any other algorithms that perform decision-time planning on discrete problems? For continuous problems there is a bunch of different options, but I can't seem to find anything else for discrete ones. submitted by /u/gaymuslimsocialist [link] [comments]  ( 118 min )

Hello, I'm trying to apply deep reinforcement learning on a simulation I programmed. The simulation simulates the behavior of some number of electric vehicle users. It tracks their energy consumption and location. When they are in a charging dock the RL agent can distribute charge to them. I want my network to output a binary for each charging spot at each time, i.e., 1 to give charge, 0 to not give charge. Is this feasible to formulate with pytorch? If so, could you give me ideas to do so? ​ Million thanks in advance. submitted by /u/arachnarus96 [link] [comments]  ( 120 min )

​ https://preview.redd.it/rb8ntizvyiu91.png?width=1926&format=png&auto=webp&s=ed034f40f4b302f89e72f7f625f91fc0f29a7059 skrl is an open-source modular library for Reinforcement Learning written in Python (using PyTorch) and designed with a focus on readability, simplicity, and transparency of algorithm implementation. In addition to supporting the OpenAI Gym and DeepMind environment interfaces, it allows loading and configuring NVIDIA Isaac Gym and NVIDIA Omniverse Isaac Gym environments, enabling agents' simultaneous training by scopes (subsets of environments among all available environments), which may or may not share resources, in the same run. ​ Visit the documentation for usage details and examples: https://skrl.readthedocs.io/en/latest/ submitted by /u/Toni-SM [link] [comments]  ( 119 min )

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I have been trying to setup Mask RCNN by matterport on my PC and failed so many times. Does anyone knows any accurate tutorial which proven well for your setup. submitted by /u/ChocolateOwn7840 [link] [comments]  ( 110 min )

Recessions, it has been said, are typically only visible in a rear-view mirror. In theory, we are in a recession when the economy shrinks over two quarters. In practice, however, not all recessions are the same. The post DSC Weekly 18 October 2022 – How the Pandemic Created a Time Warp appeared first on Data Science Central.  ( 23 min )

Therefore, the golden principle to be at peace with these irritants in your life is simple: Simplify it. The post Occam’s Razor – Simplify To Solve Problems appeared first on Data Science Central.  ( 21 min )

With the increasing use of technology in the workplace, employers and employees face a new ethical dilemma. The adoption of new technologies has recently accelerated because of the worldwide pandemic sending several individuals from the office area to their residences. Indeed, various governments have reacted to the emergency by implementing strict regulations through lockdown and… Read More »Dealing with the Ethical Workplace Dilemma of Emerging Tech The post Dealing with the Ethical Workplace Dilemma of Emerging Tech appeared first on Data Science Central.  ( 20 min )

Representation of data using graphics such as charts, plots, infographics, heat maps, bubble clouds, scatter plots, mekko charts, animation, etc., is termed data visualization. Such visual displays and representation of information help communicate complex data relationships and data-driven insights in a way that makes it easy to understand and base decisions on. The post How Data Visualization is Essential for the Banking and Finance Sector appeared first on Data Science Central.  ( 21 min )

This list is based on LinkedIn. Criteria for selection include the number of followers (above 50k), the relevancy and contributions to the field, relevant education and professional experience, as well as recent activity. This list is in alphabetical order. Kirk Borne. Worldwide top influencer since 2013. Data Scientist. Global Speaker. Consultant. Astrophysicist. Space Scientist. Big… Read More »Machine Learning Superstars: The Top 30 Influencers To Follow in 2023 The post Machine Learning Superstars: The Top 30 Influencers To Follow in 2023 appeared first on Data Science Central.  ( 22 min )

As an application domain for IoT, smart cities initially showed promise but have struggled over the last decade. However, Smart islands (instead of smart cities) may be good for the success of the Internet of Things. The post Drone-based IoT Connect Smart Islands appeared first on Data Science Central.  ( 19 min )

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Join us for lunch and an engaging discussion at Northeastern University's Curry Student Center on Wednesday, 10/19! Or, join us virtually and BYOL for this seminar: "General Fine-Tuning (GFT): A Little Language for Deep Nets" Our Sr. Principal Research Scientist, Kenneth Church will introduce GFT and share how he 'read' 250M papers over his summer vacation submitted by /u/hadwahnos [link] [comments]  ( 109 min )

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My work is currently exploring ML and deepfake tech for animation, specifically for video games. After looking into it there doesn't seem to be one particular program that stands above the rest, do you have any suggestions on which software is the best for advanced deformations based on large training/data models? submitted by /u/Qwerty177 [link] [comments]  ( 109 min )

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Hi, there! My team prepared the report on what customers love and hate about customer service chatbots. Together with our project managers, and marketers we analyzed data of thousands of conversations with real users, and made thi reserach with insigts, stats and recommendations on how to overcome struggels. This research would be helpful for: Companies that have a chatbot that isn't performing well and they don't know why Companies who want to implement a chatbot but are unsure about the best ways of creating a chatbot. Important things! Here're more details about our research: Use case: Customer support Platform: Website Language: English Locations: Europe, USA Industries: E-commerce, Retail, Retail health ​ Here's the link to the general article on the best chatbot practices and there you'll find the research. submitted by /u/Avandegraund [link] [comments]  ( 113 min )

On Tesla’s AI day, the Autopilot team revealed the improvements and massive upgrades in their software. Overall, the Full Self Driving (FSD) has released 35 software updates to date. Ashok Elluswamy, the Autopilot Director, announced that around 160,000 customers globally have been running the beta software of the autopilot and the self-driving system. This is a leap from 2,000 customers last year. https://analyticsindiamag.com/the-brilliant-language-of-lanes/ submitted by /u/analyticsindiam [link] [comments]  ( 108 min )

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Learn about how AI is used to identify pills with issues before they get to you… submitted by /u/tonym-intel [link] [comments]  ( 109 min )

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Hi, I going to build a program which can take a bunch of images and categorize them, so I'm thinking I first need an AI that I can feed a bunch of already categorized images and day "this image is category A, this is B, this is also B", and so on, so that eventually it can just take a bunch of images and send them back categorized. Where do I begin? Any recommendations on where to start on this? There's so many text-to-images AIs out there but I have no idea where to begin in this case. Thankful for any help! submitted by /u/hoozt [link] [comments]  ( 115 min )

Hey everyone! I released v0.0.2 of neograd, a deep learning framework created from scratch using Python and NumPy, with automatic differentiation capabilities. I’d taken for granted that I understood how convolutions work. Just implement a sliding window, perform element-wise multiplication, take its sum, sounds so simple right? Add to that - accounting for the running time of the algorithm, backward pass to get its gradients and convolutions over volumes, this turned out to be an excruciating undertaking. This release includes:- Gradient checking to check the correctness of gradients that are calculated by autograd- Optimization algorithms like Momentum, RMSProp, and Adam- 2D, 3D Convolution and 2D, 3D Pooling layers for Convolutional Neural Networks- Save trained models, weights to dis…  ( 113 min )

Hey everyone, thought this would be a fun read where we demonstrate clustering on the Pokémon character statistics database in just 15 minutes. Read here if you're interested! If you have any question, feel free to ask away too. submitted by /u/PIEXCHANGE [link] [comments]  ( 108 min )

Speeding adoption of enterprise AI and accelerated computing, Oracle CEO Safra Catz and NVIDIA founder and CEO Jensen Huang discussed their companies’ expanding collaboration in a fireside chat live streamed today from Oracle CloudWorld in Las Vegas. Oracle and NVIDIA announced plans to bring NVIDIA’s full accelerated computing stack to Oracle Cloud Infrastructure (OCI). It Read article > The post NVIDIA, Oracle CEOs in Fireside Chat Light Pathways to Enterprise AI appeared first on NVIDIA Blog.  ( 5 min )

Meta today announced its next-generation AI platform, Grand Teton, including NVIDIA’s collaboration on design. Compared to the company’s previous generation Zion EX platform, the Grand Teton system packs in more memory, network bandwidth and compute capacity, said Alexis Bjorlin, vice president of Meta Infrastructure Hardware, at the 2022 OCP Global Summit, an Open Compute Project Read article > The post Meta’s Grand Teton Brings NVIDIA Hopper to Its Data Centers appeared first on NVIDIA Blog.  ( 4 min )

Editor’s note: This post is part of our weekly In the NVIDIA Studio series, which celebrates featured artists, offers creative tips and tricks, and demonstrates how NVIDIA Studio technology improves creative workflows. In the coming weeks, we’ll be deep diving on new GeForce RTX 40 Series GPU features, technologies and resources, and how they dramatically Read article > The post Adobe MAX Kicks Off With Creative App Updates and 3D Artist Anna Natter Impresses This Week ‘In the NVIDIA Studio’ appeared first on NVIDIA Blog.  ( 10 min )

Vehicle appraisals are getting souped up with a GPU-accelerated AI overhaul. ProovStation, a four-year-old startup based in Lyon, France, is taking on the ambitious computer-vision quest of automating vehicle inspection and repair estimates, aiming AI-driven super-high-resolution stations at businesses worldwide. It recently launched three of its state-of-the-art vehicle inspection scanners at French retail giant Carrefour’s Read article > The post Souped-Up Auto Quotes: ProovStation Delivers GPU-Driven AI Appraisals appeared first on NVIDIA Blog.  ( 6 min )

Posted by Avi Singh, Research Scientist, and Laura Graesser, Research Engineer, Robotics at Google Robot learning has been applied to a wide range of challenging real world tasks, including dexterous manipulation, legged locomotion, and grasping. It is less common to see robot learning applied to dynamic, high-acceleration tasks requiring tight-loop human-robot interactions, such as table tennis. There are two complementary properties of the table tennis task that make it interesting for robotic learning research. First, the task requires both speed and precision, which puts significant demands on a learning algorithm. At the same time, the problem is highly-structured (with a fixed, predictable environment) and naturally multi-agent (the robot can play with humans or another robot), makin…  ( 26 min )

Learn how artist Sundog uses his traditional filmmaking skills along with AI tools to create fantastic experiences  ( 10 min )

Lately, I have been getting many questions from folks who don’t have an engineering or computer science background, especially women…  ( 10 min )

How Big is it, exactly? Let’s study the newest data management techniques. Straight talk, no fuss!  ( 14 min )

Predicting the Telecom Customer Churn.  ( 10 min )

AI and ECM technologies are already having a big impact on education these days, and that impact is only going to keep growing in the…  ( 7 min )

Studying users’ behavior and understanding their sentiments have become substantial to businesses with the increasing platforms operating…  ( 10 min )

Today, Amazon SageMaker Canvas introduces the ability to use the Quick build feature with time series forecasting use cases. This allows you to train models and generate the associated explainability scores in under 20 minutes, at which point you can generate predictions on new, unseen data. Quick build training enables faster experimentation to understand how […]  ( 8 min )

Exploratory data analysis (EDA) is a common task performed by business analysts to discover patterns, understand relationships, validate assumptions, and identify anomalies in their data. In machine learning (ML), it’s important to first understand the data and its relationships before getting into model building. Traditional ML development cycles can sometimes take months and require advanced […]  ( 9 min )

Model deployment in machine learning (ML) is becoming increasingly complex. You want to deploy not just one ML model but large groups of ML models represented as ensemble workflows. These workflows are comprised of multiple ML models. Productionizing these ML models is challenging because you need to adhere to various performance and latency requirements. Amazon […]  ( 8 min )

In this paper, we propose an end-to-end SpA-Former to recover a shadow-free image from a single shaded image. Unlike traditional methods that require two steps for shadow detection and then shadow removal, the SpA-Former unifies these steps into one, which is a one-stage network capable of directly learning the mapping function between shadows and no shadows, it does not require a separate shadow detection. Thus, SpA-former is adaptable to real image de-shadowing for shadows projected on different semantic regions. SpA-Former consists of transformer layer and a series of joint Fourier transform residual blocks and two-wheel joint spatial attention. The network in this paper is able to handle the task while achieving a very fast processing efficiency. Our code is relased on https://github.com/zhangbaijin/SpA-Former-shadow-removal  ( 2 min )

While language tasks are naturally expressed in a single, unified, modeling framework, i.e., generating sequences of tokens, this has not been the case in computer vision. As a result, there is a proliferation of distinct architectures and loss functions for different vision tasks. In this work we show that a diverse set of "core" computer vision tasks can also be unified if formulated in terms of a shared pixel-to-sequence interface. We focus on four tasks, namely, object detection, instance segmentation, keypoint detection, and image captioning, all with diverse types of outputs, e.g., bounding boxes or dense masks. Despite that, by formulating the output of each task as a sequence of discrete tokens with a unified interface, we show that one can train a neural network with a single model architecture and loss function on all these tasks, with no task-specific customization. To solve a specific task, we use a short prompt as task description, and the sequence output adapts to the prompt so it can produce task-specific output. We show that such a model can achieve competitive performance compared to well-established task-specific models.  ( 3 min )

Rehearsal approaches enjoy immense popularity with Continual Learning (CL) practitioners. These methods collect samples from previously encountered data distributions in a small memory buffer; subsequently, they repeatedly optimize on the latter to prevent catastrophic forgetting. This work draws attention to a hidden pitfall of this widespread practice: repeated optimization on a small pool of data inevitably leads to tight and unstable decision boundaries, which are a major hindrance to generalization. To address this issue, we propose Lipschitz-DrivEn Rehearsal (LiDER), a surrogate objective that induces smoothness in the backbone network by constraining its layer-wise Lipschitz constants w.r.t. replay examples. By means of extensive experiments, we show that applying LiDER delivers a stable performance gain to several state-of-the-art rehearsal CL methods across multiple datasets, both in the presence and absence of pre-training. Through additional ablative experiments, we highlight peculiar aspects of buffer overfitting in CL and better characterize the effect produced by LiDER. Code is available at https://github.com/aimagelab/LiDER  ( 2 min )

Gradient descent during the learning process of a neural network can be subject to many instabilities. The spectral density of the Jacobian is a key component for analyzing stability. Following the works of Pennington et al., such Jacobians are modeled using free multiplicative convolutions from Free Probability Theory (FPT). We present a reliable and very fast method for computing the associated spectral densities, for given architecture and initialization. This method has a controlled and proven convergence. Our technique is based on an homotopy method: it is an adaptative Newton-Raphson scheme which chains basins of attraction. In order to demonstrate the relevance of our method we show that the relevant FPT metrics computed before training are highly correlated to final test accuracies - up to 85\%. We also nuance the idea that learning happens at the edge of chaos by giving evidence that a very desirable feature for neural networks is the hyperbolicity of their Jacobian at initialization.  ( 3 min )

We improve the theoretical and empirical performance of neural-network(NN)-based active learning algorithms for the non-parametric streaming setting. In particular, we introduce two regret metrics by minimizing the population loss that are more suitable in active learning than the one used in state-of-the-art (SOTA) related work. Then, the proposed algorithm leverages the powerful representation of NNs for both exploitation and exploration, has the query decision-maker tailored for $k$-class classification problems with the performance guarantee, utilizes the full feedback, and updates parameters in a more practical and efficient manner. These careful designs lead to a better regret upper bound, improving by a multiplicative factor $O(\log T)$ and removing the curse of input dimensionality. Furthermore, we show that the algorithm can achieve the same performance as the Bayes-optimal classifier in the long run under the hard-margin setting in classification problems. In the end, we use extensive experiments to evaluate the proposed algorithm and SOTA baselines, to show the improved empirical performance.  ( 2 min )

In this work, we study the simple yet universally applicable case of reward shaping in value-based Deep Reinforcement Learning (DRL). We show that reward shifting in the form of the linear transformation is equivalent to changing the initialization of the $Q$-function in function approximation. Based on such an equivalence, we bring the key insight that a positive reward shifting leads to conservative exploitation, while a negative reward shifting leads to curiosity-driven exploration. Accordingly, conservative exploitation improves offline RL value estimation, and optimistic value estimation improves exploration for online RL. We validate our insight on a range of RL tasks and show its improvement over baselines: (1) In offline RL, the conservative exploitation leads to improved performance based on off-the-shelf algorithms; (2) In online continuous control, multiple value functions with different shifting constants can be used to tackle the exploration-exploitation dilemma for better sample efficiency; (3) In discrete control tasks, a negative reward shifting yields an improvement over the curiosity-based exploration method.  ( 2 min )

Federated Learning (FL) is a novel approach enabling several clients holding sensitive data to collaboratively train machine learning models, without centralizing data. The cross-silo FL setting corresponds to the case of few ($2$--$50$) reliable clients, each holding medium to large datasets, and is typically found in applications such as healthcare, finance, or industry. While previous works have proposed representative datasets for cross-device FL, few realistic healthcare cross-silo FL datasets exist, thereby slowing algorithmic research in this critical application. In this work, we propose a novel cross-silo dataset suite focused on healthcare, FLamby (Federated Learning AMple Benchmark of Your cross-silo strategies), to bridge the gap between theory and practice of cross-silo FL. FLamby encompasses 7 healthcare datasets with natural splits, covering multiple tasks, modalities, and data volumes, each accompanied with baseline training code. As an illustration, we additionally benchmark standard FL algorithms on all datasets. Our flexible and modular suite allows researchers to easily download datasets, reproduce results and re-use the different components for their research. FLamby is available at~\url{www.github.com/owkin/flamby}.  ( 3 min )

Self-supervised learning (SSL) has emerged as a promising alternative to create supervisory signals to real-world tasks, avoiding the extensive cost of labeling. SSL is particularly attractive for unsupervised tasks such as anomaly detection (AD), where labeled anomalies are costly to secure, difficult to simulate, or even nonexistent. A large catalog of augmentation functions have been used for SSL-based AD (SSAD) on image data, and recent works have observed that the type of augmentation has a significant impact on performance. Motivated by those, this work sets out to put image-based SSAD under a larger lens and carefully investigate the role of data augmentation in AD through extensive experiments on three different models across 420 different tasks. Our main finding is that self-supervision acts as a yet-another model hyperparameter and should be chosen carefully in regard to the nature of true anomalies. That is, the alignment between data augmentation and the underlying anomaly-generating mechanism in given data is the key to the success of SSAD, and in the lack thereof, SSL even impairs (!) the accuracy. Moving beyond proposing another SSAD method, our study contributes to a better understanding of this growing area and lays out new directions for future research.  ( 3 min )

From the nature of dark matter to the rate of expansion of our Universe, observations of distant galaxies distorted through strong gravitational lensing have the potential to answer some of the major open questions in astrophysics. Modeling galaxy-galaxy strong lensing observations presents a number of challenges as the exact configuration of both the background source and foreground lens galaxy is unknown. A timely call, prompted by a number of upcoming surveys anticipating high-resolution lensing images, demands methods that can efficiently model lenses at their full complexity. In this work, we introduce a method that uses continuous neural fields to non-parametrically reconstruct the complex morphology of a source galaxy while simultaneously inferring a distribution over foreground lens galaxy configurations. We demonstrate the efficacy of our method through experiments on simulated data targeting high-resolution lensing images similar to those anticipated in near-future astrophysical surveys.  ( 2 min )

Machine learning approaches commonly rely on the assumption of independent and identically distributed (i.i.d.) data. In reality, however, this assumption is almost always violated due to distribution shifts between environments. Although valuable learning signals can be provided by heterogeneous data from changing distributions, it is also known that learning under arbitrary (adversarial) changes is impossible. Causality provides a useful framework for modeling distribution shifts, since causal models encode both observational and interventional distributions. In this work, we explore the sparse mechanism shift hypothesis, which posits that distribution shifts occur due to a small number of changing causal conditionals. Motivated by this idea, we apply it to learning causal structure from heterogeneous environments, where i.i.d. data only allows for learning an equivalence class of graphs without restrictive assumptions. We propose the Mechanism Shift Score (MSS), a score-based approach amenable to various empirical estimators, which provably identifies the entire causal structure with high probability if the sparse mechanism shift hypothesis holds. Empirically, we verify behavior predicted by the theory and compare multiple estimators and score functions to identify the best approaches in practice. Compared to other methods, we show how MSS bridges a gap by both being nonparametric as well as explicitly leveraging sparse changes.  ( 3 min )

Bias in training datasets must be managed for various groups in classification tasks to ensure parity or equal treatment. With the recent growth in artificial intelligence models and their expanding role in automated decision-making, ensuring that these models are not biased is vital. There is an abundance of evidence suggesting that these models could contain or even amplify the bias present in the data on which they are trained, inherent to their objective function and learning algorithms; Many researchers direct their attention to this issue in different directions, namely, changing data to be statistically independent, adversarial training for restricting the capabilities of a particular competitor who aims to maximize parity, etc. These methods result in information loss and do not provide a suitable balance between accuracy and fairness or do not ensure limiting the biases in training. To this end, we propose a powerful strategy for training deep learning models called the Distraction module, which can be theoretically proven effective in controlling bias from affecting the classification results. This method can be utilized with different data types (e.g., Tabular, images, graphs, etc.). We demonstrate the potency of the proposed method by testing it on UCI Adult and Heritage Health datasets (tabular), POKEC-Z, POKEC-N and NBA datasets (graph), and CelebA dataset (vision). Using state-of-the-art methods proposed in the fairness literature for each dataset, we exhibit our model is superior to these proposed methods in minimizing bias and maintaining accuracy.  ( 3 min )

Lipschitz constrained networks have gathered considerable attention in the deep learning community, with usages ranging from Wasserstein distance estimation to the training of certifiably robust classifiers. However they remain commonly considered as less accurate, and their properties in learning are still not fully understood. In this paper we clarify the matter: when it comes to classification 1-Lipschitz neural networks enjoy several advantages over their unconstrained counterpart. First, we show that these networks are as accurate as classical ones, and can fit arbitrarily difficult boundaries. Then, relying on a robustness metric that reflects operational needs we characterize the most robust classifier: the WGAN discriminator. Next, we show that 1-Lipschitz neural networks generalize well under milder assumptions. Finally, we show that hyper-parameters of the loss are crucial for controlling the accuracy-robustness trade-off. We conclude that they exhibit appealing properties to pave the way toward provably accurate, and provably robust neural networks.  ( 3 min )

Unsupervised domain adaptation (UDA) aims to predict unlabeled data from target domain with access to labeled data from the source domain. In this work, we propose a novel framework called SIDA (Surrogate Mutual Information Maximization Domain Adaptation) with strong theoretical guarantees. To be specific, SIDA implements adaptation by maximizing mutual information (MI) between features. In the framework, a surrogate joint distribution models the underlying joint distribution of the unlabeled target domain. Our theoretical analysis validates SIDA by bounding the expected risk on target domain with MI and surrogate distribution bias. Experiments show that our approach is comparable with state-of-the-art unsupervised adaptation methods on standard UDA tasks.  ( 2 min )

Due to the remarkable performance in preserving data privacy for decentralized data scenarios, Federated Learning (FL) has been considered as a promising distributed machine learning paradigm to deal with data silos problems. Typically, conventional FL approaches adopts a one-to-multi training scheme, where the cloud server keeps only one single global model for all the involved clients for the purpose of model aggregation. However, this scheme suffers from inferior classification performance, since only one global model cannot always accommodate all the incompatible convergence directions of local models, resulting in a low convergence rate and classification accuracy. To address this issue, this paper presents an efficient FL framework named FedCross, which adopts a novel multi-to-multi FL training scheme based on our proposed similarity-based multi-model cross aggregation method. Unlike traditional FL methods, in each round of FL training, FedCross uses a small set of distinct intermediate models to conduct weighted fusion under the guidance of model similarities. In this way, the intermediate models used by FedCross can sufficiently respect the convergence characteristics of clients, thus leading to much fewer conflicts in tuning the convergence directions of clients. Finally, in the deployment stage, FedCross forms a global model for all the clients by performing the federated averaging on the trained immediate models.  ( 2 min )

Herein, the Hidden Markov Model is expanded to allow for Markov chain observations. In particular, the observations are assumed to be a Markov chain whose one step transition probabilities depend upon the hidden Markov chain. An Expectation-Maximization analog to the Baum-Welch algorithm is developed for this more general model to estimate the transition probabilities for both the hidden state and for the observations as well as to estimate the probabilities for the initial joint hidden-state-observation distribution. A believe state or filter recursion to track the hidden state then arises from the calculations of this Expectation-Maximization algorithm. A dynamic programming analog to the Viterbi algorithm is also developed to estimate the most likely sequence of hidden states given the sequence of observations.  ( 2 min )

Efficient and effective testing for simulation-based hardware verification is challenging. Using constrained random test generation, several millions of tests may be required to achieve coverage goals. The vast majority of tests do not contribute to coverage progress, yet they consume verification resources. In this paper, we propose a hybrid intelligent testing approach combining two methods that have previously been treated separately, namely Coverage-Directed Test Selection and Novelty-Driven Verification. Coverage-Directed Test Selection learns from coverage feedback to bias testing toward the most effective tests. Novelty-Driven Verification learns to identify and simulate stimuli that differ from previous stimuli, thereby reducing the number of simulations and increasing testing efficiency. We discuss the strengths and limitations of each method, and we show how our approach addresses each method's limitations, leading to hardware testing that is both efficient and effective.  ( 2 min )

Score-based generative models (SGMs) need to approximate the scores $\nabla \log p_t$ of the intermediate distributions as well as the final distribution $p_T$ of the forward process. The theoretical underpinnings of the effects of these approximations are still lacking. We find precise conditions under which SGMs are able to produce samples from an underlying (low-dimensional) data manifold $\mathcal{M}$. This assures us that SGMs are able to generate the "right kind of samples". For example, taking $\mathcal{M}$ to be the subset of images of faces, we find conditions under which the SGM robustly produces an image of a face, even though the relative frequencies of these images might not accurately represent the true data generating distribution. Moreover, this analysis is a first step towards understanding the generalization properties of SGMs: Taking $\mathcal{M}$ to be the set of all training samples, our results provide a precise description of when the SGM memorizes its training data.  ( 2 min )

Vision Transformers achieved outstanding performance in many computer vision tasks. Early Vision Transformers such as ViT and DeiT adopt global self-attention, which is computationally expensive when the number of patches is large. To improve efficiency, recent Vision Transformers adopt local self-attention mechanisms, where self-attention is computed within local windows. Despite the fact that window-based local self-attention significantly boosts efficiency, it fails to capture the relationships between distant but similar patches in the image plane. To overcome this limitation of image-space local attention, in this paper, we further exploit the locality of patches in the feature space. We group the patches into multiple clusters using their features, and self-attention is computed within every cluster. Such feature-space local attention effectively captures the connections between patches across different local windows but still relevant. We propose a Bilateral lOcal Attention vision Transformer (BOAT), which integrates feature-space local attention with image-space local attention. We further integrate BOAT with both Swin and CSWin models, and extensive experiments on several benchmark datasets demonstrate that our BOAT-CSWin model clearly and consistently outperforms existing state-of-the-art CNN models and vision Transformers.  ( 2 min )

We present Spartan, a method for training sparse neural network models with a predetermined level of sparsity. Spartan is based on a combination of two techniques: (1) soft top-k masking of low-magnitude parameters via a regularized optimal transportation problem and (2) dual averaging-based parameter updates with hard sparsification in the forward pass. This scheme realizes an exploration-exploitation tradeoff: early in training, the learner is able to explore various sparsity patterns, and as the soft top-k approximation is gradually sharpened over the course of training, the balance shifts towards parameter optimization with respect to a fixed sparsity mask. Spartan is sufficiently flexible to accommodate a variety of sparsity allocation policies, including both unstructured and block structured sparsity, as well as general cost-sensitive sparsity allocation mediated by linear models of per-parameter costs. On ImageNet-1K classification, Spartan yields 95% sparse ResNet-50 models and 90% block sparse ViT-B/16 models while incurring absolute top-1 accuracy losses of less than 1% compared to fully dense training.

While classical forms of stochastic gradient descent algorithm treat the different coordinates in the same way, a framework allowing for adaptive (non uniform) coordinate sampling is developed to leverage structure in data. In a non-convex setting and including zeroth order gradient estimate, almost sure convergence as well as non-asymptotic bounds are established. Within the proposed framework, we develop an algorithm, MUSKETEER, based on a reinforcement strategy: after collecting information on the noisy gradients, it samples the most promising coordinate (all for one); then it moves along the one direction yielding an important decrease of the objective (one for all). Numerical experiments on both synthetic and real data examples confirm the effectiveness of MUSKETEER in large scale problems.

Numerous subgraph-enhanced graph neural networks (GNNs) have emerged recently, provably boosting the expressive power of standard (message-passing) GNNs. However, there is a limited understanding of how these approaches relate to each other and to the Weisfeiler-Leman hierarchy. Moreover, current approaches either use all subgraphs of a given size, sample them uniformly at random, or use hand-crafted heuristics instead of learning to select subgraphs in a data-driven manner. Here, we offer a unified way to study such architectures by introducing a theoretical framework and extending the known expressivity results of subgraph-enhanced GNNs. Concretely, we show that increasing subgraph size always increases the expressive power and develop a better understanding of their limitations by relating them to the established $k\text{-}\mathsf{WL}$ hierarchy. In addition, we explore different approaches for learning to sample subgraphs using recent methods for backpropagating through complex discrete probability distributions. Empirically, we study the predictive performance of different subgraph-enhanced GNNs, showing that our data-driven architectures increase prediction accuracy on standard benchmark datasets compared to non-data-driven subgraph-enhanced graph neural networks while reducing computation time.

The field of Deep Learning (DL) has undergone explosive growth during the last decade, with a substantial impact on Natural Language Processing (NLP) as well. Yet, compared to more established disciplines, a lack of common experimental standards remains an open challenge to the field at large. Starting from fundamental scientific principles, we distill ongoing discussions on experimental standards in NLP into a single, widely-applicable methodology. Following these best practices is crucial to strengthen experimental evidence, improve reproducibility and support scientific progress. These standards are further collected in a public repository to help them transparently adapt to future needs.

The main challenge of multiagent reinforcement learning is the difficulty of learning useful policies in the presence of other simultaneously learning agents whose changing behaviors jointly affect the environment's transition and reward dynamics. An effective approach that has recently emerged for addressing this non-stationarity is for each agent to anticipate the learning of other agents and influence the evolution of future policies towards desirable behavior for its own benefit. Unfortunately, previous approaches for achieving this suffer from myopic evaluation, considering only a finite number of policy updates. As such, these methods can only influence transient future policies rather than achieving the promise of scalable equilibrium selection approaches that influence the behavior at convergence. In this paper, we propose a principled framework for considering the limiting policies of other agents as time approaches infinity. Specifically, we develop a new optimization objective that maximizes each agent's average reward by directly accounting for the impact of its behavior on the limiting set of policies that other agents will converge to. Our paper characterizes desirable solution concepts within this problem setting and provides practical approaches for optimizing over possible outcomes. As a result of our farsighted objective, we demonstrate better long-term performance than state-of-the-art baselines across a suite of diverse multiagent benchmark domains.

Mapping the connectome of the human brain using structural or functional connectivity has become one of the most pervasive paradigms for neuroimaging analysis. Recently, Graph Neural Networks (GNNs) motivated from geometric deep learning have attracted broad interest due to their established power for modeling complex networked data. Despite their superior performance in many fields, there has not yet been a systematic study of how to design effective GNNs for brain network analysis. To bridge this gap, we present BrainGB, a benchmark for brain network analysis with GNNs. BrainGB standardizes the process by (1) summarizing brain network construction pipelines for both functional and structural neuroimaging modalities and (2) modularizing the implementation of GNN designs. We conduct extensive experiments on datasets across cohorts and modalities and recommend a set of general recipes for effective GNN designs on brain networks. To support open and reproducible research on GNN-based brain network analysis, we host the BrainGB website at https://braingb.us with models, tutorials, examples, as well as an out-of-box Python package. We hope that this work will provide useful empirical evidence and offer insights for future research in this novel and promising direction.

We present StreamNet, an autoencoder architecture for the analysis of the highly heterogeneous geometry of large collections of white matter streamlines. This proposed framework takes advantage of geometry-preserving properties of the Wasserstein-1 metric in order to achieve direct encoding and reconstruction of entire bundles of streamlines. We show that the model not only accurately captures the distributive structures of streamlines in the population, but is also able to achieve superior reconstruction performance between real and synthetic streamlines. Experimental model performance is evaluated on white matter streamlines resulting from T1-weighted diffusion imaging of 40 healthy controls using recent state of the art bundle comparison metric that measures fiber-shape similarities.

Nonlinear independent component analysis (ICA) aims to recover the underlying independent latent sources from their observable nonlinear mixtures. How to make the nonlinear ICA model identifiable up to certain trivial indeterminacies is a long-standing problem in unsupervised learning. Recent breakthroughs reformulate the standard independence assumption of sources as conditional independence given some auxiliary variables (e.g., class labels and/or domain/time indexes) as weak supervision or inductive bias. However, nonlinear ICA with unconditional priors cannot benefit from such developments. We explore an alternative path and consider only assumptions on the mixing process, such as Structural Sparsity. We show that under specific instantiations of such constraints, the independent latent sources can be identified from their nonlinear mixtures up to a permutation and a component-wise transformation, thus achieving nontrivial identifiability of nonlinear ICA without auxiliary variables. We provide estimation methods and validate the theoretical results experimentally. The results on image data suggest that our conditions may hold in a number of practical data generating processes.

This work presents gauge-equivariant architectures for flow-based sampling in fermionic lattice field theories using pseudofermions as stochastic estimators for the fermionic determinant. This is the default approach in state-of-the-art lattice field theory calculations, making this development critical to the practical application of flow models to theories such as QCD. Methods by which flow-based sampling approaches can be improved via standard techniques such as even/odd preconditioning and the Hasenbusch factorization are also outlined. Numerical demonstrations in two-dimensional U(1) and SU(3) gauge theories with $N_f=2$ flavors of fermions are provided.

This paper provides a theoretical study of deep neural function approximation in reinforcement learning (RL) with the $\epsilon$-greedy exploration under the online setting. This problem setting is motivated by the successful deep Q-networks (DQN) framework that falls in this regime. In this work, we provide an initial attempt on theoretical understanding deep RL from the perspective of function class and neural networks architectures (e.g., width and depth) beyond the ``linear'' regime. To be specific, we focus on the value based algorithm with the $\epsilon$-greedy exploration via deep (and two-layer) neural networks endowed by Besov (and Barron) function spaces, respectively, which aims at approximating an $\alpha$-smooth Q-function in a $d$-dimensional feature space. We prove that, with $T$ episodes, scaling the width $m = \widetilde{\mathcal{O}}(T^{\frac{d}{2\alpha + d}})$ and the depth $L=\mathcal{O}(\log T)$ of the neural network for deep RL is sufficient for learning with sublinear regret in Besov spaces. Moreover, for a two layer neural network endowed by the Barron space, scaling the width $\Omega(\sqrt{T})$ is sufficient. To achieve this, the key issue in our analysis is how to estimate the temporal difference error under deep neural function approximation as the $\epsilon$-greedy exploration is not enough to ensure ``optimism''. Our analysis reformulates the temporal difference error in an $L^2(\mathrm{d}\mu)$-integrable space over a certain averaged measure $\mu$, and transforms it to a generalization problem under the non-iid setting. This might have its own interest in RL theory for better understanding $\epsilon$-greedy exploration in deep RL.

Graphs are powerful representations for relations among objects, which have attracted plenty of attention. A fundamental challenge for graph learning is how to train an effective Graph Neural Network (GNN) encoder without labels, which are expensive and time consuming to obtain. Contrastive Learning (CL) is one of the most popular paradigms to address this challenge, which trains GNNs by discriminating positive and negative node pairs. Despite the success of recent CL methods, there are still two under-explored problems. First, how to reduce the semantic error introduced by random topology based data augmentations. Traditional CL defines positive and negative node pairs via the node-level topological proximity, which is solely based on the graph topology regardless of the semantic information of node attributes, and thus some semantically similar nodes could be wrongly treated as negative pairs. Second, how to effectively model the multiplexity of the real-world graphs, where nodes are connected by various relations and each relation could form a homogeneous graph layer. To solve these problems, we propose a novel multiplex heterogeneous graph prototypical contrastive leaning (X-GOAL) framework to extract node embeddings. X-GOAL is comprised of two components: the GOAL framework, which learns node embeddings for each homogeneous graph layer, and an alignment regularization, which jointly models different layers by aligning layer-specific node embeddings. Specifically, the GOAL framework captures the node-level information by a succinct graph transformation technique, and captures the cluster-level information by pulling nodes within the same semantic cluster closer in the embedding space. The alignment regularization aligns embeddings across layers at both node and cluster levels. We evaluate X-GOAL on various real-world datasets and downstream tasks to demonstrate its effectiveness.

The exponential growth of machine learning (ML) has prompted a great deal of interest in quantifying the uncertainty of each prediction for a user-defined level of confidence since nowadays ML is increasingly being used in high-stakes settings. Reliable ML via prediction intervals(PIs) that take into account jointly the epistemic and aleatory uncertainty is therefore imperative and is a step towards increased trust in model forecasts. Conformal prediction (CP) is a lightweight distribution-free uncertainty quantification framework that works for any black-box model, yielding PIs that are valid under the mild assumption of exchangeability. CP-type methods are gaining popularity due to being easy to implement and computationally cheap; however, the exchangeability assumption immediately excludes time series forecasting from the stage. Although recent papers tackle distribution shift and asymptotic versions of CP, this is not enough for the general time series forecasting problem of producing H-step ahead valid PIs. To attain such a goal, we propose a new method called AEnbMIMOCQR (Adaptive ensemble batch multi-input multi-output conformalized quantile regression), which produces valid PIs asymptotically and is appropriate for heteroscedastic time series. We compare the proposed method against state-of-the-art competitive methods in the NN5 forecasting competition dataset. All the code and data to reproduce the experiments are made available.

Safety and security issues for Critical Infrastructures (CI) are growing as attackers increasingly adopt drones as an attack vector flying in sensitive airspace, such as airports, military bases, city centres, and crowded places. The rapid proliferation of drones for merchandise, shipping recreations activities, and other commercial applications poses severe concerns on the CI operators due to the violations and the invasions of the restricted airspaces. A cost-effective framework is needed to detect, classify and identify the presence of drones in such cases. In this paper, we demonstrate that CI operators can detect, classify and identify timely and efficiently drones (multi-copter and fixed-wings) invading no-drone zones, with an inexpensive RF-based detection framework named URANUS. Our experiments show that by using Random Forest classifier, we achieved a classification accuracy of 93.4% in the classification of one or multiple specific drones. The tracking performance achieves an accuracy with an average of MAE=0.3650, MSE=0.9254 and R2 = 0.7502. Our framework has been released as open-source, to enable the community to verify our findings and use URANUS as a ready-to-use basis for further analysis.

Detecting which nodes in graphs are outliers is a relatively new machine learning task with numerous applications. Despite the proliferation of algorithms developed in recent years for this task, there has been no standard comprehensive setting for performance evaluation. Consequently, it has been difficult to understand which methods work well and when under a broad range of settings. To bridge this gap, we present--to the best of our knowledge--the first comprehensive benchmark for unsupervised outlier node detection on static attributed graphs called BOND, with the following highlights. (1) We benchmark the outlier detection performance of 14 methods ranging from classical matrix factorization to the latest graph neural networks. (2) Using nine real datasets, our benchmark assesses how the different detection methods respond to two major types of synthetic outliers and separately to "organic" (real non-synthetic) outliers. (3) Using an existing random graph generation technique, we produce a family of synthetically generated datasets of different graph sizes that enable us to compare the running time and memory usage of the different outlier detection algorithms. Based on our experimental results, we discuss the pros and cons of existing graph outlier detection algorithms, and we highlight opportunities for future research. Importantly, our code is freely available and meant to be easily extendable: https://github.com/pygod-team/pygod/tree/main/benchmark

Motivated by the problem of learning with small sample sizes, this paper shows how to incorporate into support-vector machines (SVMs) those properties that have made convolutional neural networks (CNNs) successful. Particularly important is the ability to incorporate domain knowledge of invariances, e.g., translational invariance of images. Kernels based on the \textit{maximum} similarity over a group of transformations are not generally positive definite. Perhaps it is for this reason that they have not been studied theoretically. We address this lacuna and show that positive definiteness indeed holds \textit{with high probability} for kernels based on the maximum similarity in the small training sample set regime of interest, and that they do yield the best results in that regime. We also show how additional properties such as their ability to incorporate local features at multiple spatial scales, e.g., as done in CNNs through max pooling, and to provide the benefits of composition through the architecture of multiple layers, can also be embedded into SVMs. We verify through experiments on widely available image sets that the resulting SVMs do provide superior accuracy in comparison to well-established deep neural network benchmarks for small sample sizes.

Designing robust algorithms capable of training accurate neural networks on uncurated datasets from the web has been the subject of much research as it reduces the need for time consuming human labor. The focus of many previous research contributions has been on the detection of different types of label noise; however, this paper proposes to improve the correction accuracy of noisy samples once they have been detected. In many state-of-the-art contributions, a two phase approach is adopted where the noisy samples are detected before guessing a corrected pseudo-label in a semi-supervised fashion. The guessed pseudo-labels are then used in the supervised objective without ensuring that the label guess is likely to be correct. This can lead to confirmation bias, which reduces the noise robustness. Here we propose the pseudo-loss, a simple metric that we find to be strongly correlated with pseudo-label correctness on noisy samples. Using the pseudo-loss, we dynamically down weight under-confident pseudo-labels throughout training to avoid confirmation bias and improve the network accuracy. We additionally propose to use a confidence guided contrastive objective that learns robust representation on an interpolated objective between class bound (supervised) for confidently corrected samples and unsupervised representation for under-confident label corrections. Experiments demonstrate the state-of-the-art performance of our Pseudo-Loss Selection (PLS) algorithm on a variety of benchmark datasets including curated data synthetically corrupted with in-distribution and out-of-distribution noise, and two real world web noise datasets. Our experiments are fully reproducible github.com/PaulAlbert31/SNCF

Score-based divergences have been widely used in machine learning and statistics applications. Despite their empirical success, a blindness problem has been observed when using these for multi-modal distributions. In this work, we discuss the blindness problem and propose a new family of divergences that can mitigate the blindness problem. We illustrate our proposed divergence in the context of density estimation and report improved performance compared to traditional approaches.

Generative models (e.g., GANs, diffusion models) learn the underlying data distribution in an unsupervised manner. However, many applications of interest require sampling from a particular region of the output space or sampling evenly over a range of characteristics. For efficient sampling in these scenarios, we propose Generative Visual Prompt (PromptGen), a framework for distributional control over pre-trained generative models by incorporating knowledge of other off-the-shelf models. PromptGen defines control as energy-based models (EBMs) and samples images in a feed-forward manner by approximating the EBM with invertible neural networks, avoiding optimization at inference. Our experiments demonstrate how PromptGen can efficiently sample from several unconditional generative models (e.g., StyleGAN2, StyleNeRF, diffusion autoencoder, NVAE) in a controlled or/and de-biased manner using various off-the-shelf models: (1) with the CLIP model as control, PromptGen can sample images guided by text, (2) with image classifiers as control, PromptGen can de-bias generative models across a set of attributes or attribute combinations, and (3) with inverse graphics models as control, PromptGen can sample images of the same identity in different poses. (4) Finally, PromptGen reveals that the CLIP model shows a "reporting bias" when used as control, and PromptGen can further de-bias this controlled distribution in an iterative manner. The code is available at https://github.com/ChenWu98/Generative-Visual-Prompt.

The ability to estimate epistemic uncertainty is often crucial when deploying machine learning in the real world, but modern methods often produce overconfident, uncalibrated uncertainty predictions. A common approach to quantify epistemic uncertainty, usable across a wide class of prediction models, is to train a model ensemble. In a naive implementation, the ensemble approach has high computational cost and high memory demand. This challenges in particular modern deep learning, where even a single deep network is already demanding in terms of compute and memory, and has given rise to a number of attempts to emulate the model ensemble without actually instantiating separate ensemble members. We introduce FiLM-Ensemble, a deep, implicit ensemble method based on the concept of Feature-wise Linear Modulation (FiLM). That technique was originally developed for multi-task learning, with the aim of decoupling different tasks. We show that the idea can be extended to uncertainty quantification: by modulating the network activations of a single deep network with FiLM, one obtains a model ensemble with high diversity, and consequently well-calibrated estimates of epistemic uncertainty, with low computational overhead in comparison. Empirically, FiLM-Ensemble outperforms other implicit ensemble methods, and it and comes very close to the upper bound of an explicit ensemble of networks (sometimes even beating it), at a fraction of the memory cost.

A powerful category of (invisible) data poisoning attacks modify a subset of training examples by small adversarial perturbations to change the prediction of certain test-time data. Existing defense mechanisms are not desirable to deploy in practice, as they often either drastically harm the generalization performance, or are attack-specific, and prohibitively slow to apply. Here, we propose a simple but highly effective approach that unlike existing methods breaks various types of invisible poisoning attacks with the slightest drop in the generalization performance. We make the key observation that attacks introduce local sharp regions of high training loss, which when minimized, results in learning the adversarial perturbations and makes the attack successful. To break poisoning attacks, our key idea is to alleviate the sharp loss regions introduced by poisons. To do so, our approach comprises two components: an optimized friendly noise that is generated to maximally perturb examples without degrading the performance, and a randomly varying noise component. The combination of both components builds a very light-weight but extremely effective defense against the most powerful triggerless targeted and hidden-trigger backdoor poisoning attacks, including Gradient Matching, Bulls-eye Polytope, and Sleeper Agent. We show that our friendly noise is transferable to other architectures, and adaptive attacks cannot break our defense due to its random noise component.

Pre-training on time series poses a unique challenge due to the potential mismatch between pre-training and target domains, such as shifts in temporal dynamics, fast-evolving trends, and long-range and short-cyclic effects, which can lead to poor downstream performance. While domain adaptation methods can mitigate these shifts, most methods need examples directly from the target domain, making them suboptimal for pre-training. To address this challenge, methods need to accommodate target domains with different temporal dynamics and be capable of doing so without seeing any target examples during pre-training. Relative to other modalities, in time series, we expect that time-based and frequency-based representations of the same example are located close together in the time-frequency space. To this end, we posit that time-frequency consistency (TF-C) -- embedding a time-based neighborhood of an example close to its frequency-based neighborhood -- is desirable for pre-training. Motivated by TF-C, we define a decomposable pre-training model, where the self-supervised signal is provided by the distance between time and frequency components, each individually trained by contrastive estimation. We evaluate the new method on eight datasets, including electrodiagnostic testing, human activity recognition, mechanical fault detection, and physical status monitoring. Experiments against eight state-of-the-art methods show that TF-C outperforms baselines by 15.4% (F1 score) on average in one-to-one settings (e.g., fine-tuning an EEG-pretrained model on EMG data) and by 8.4% (precision) in challenging one-to-many settings (e.g., fine-tuning an EEG-pretrained model for either hand-gesture recognition or mechanical fault prediction), reflecting the breadth of scenarios that arise in real-world applications. Code and datasets: https://github.com/mims-harvard/TFC-pretraining.

We propose a family of First Hitting Diffusion Models (FHDM), deep generative models that generate data with a diffusion process that terminates at a random first hitting time. This yields an extension of the standard fixed-time diffusion models that terminate at a pre-specified deterministic time. Although standard diffusion models are designed for continuous unconstrained data, FHDM is naturally designed to learn distributions on continuous as well as a range of discrete and structure domains. Moreover, FHDM enables instance-dependent terminate time and accelerates the diffusion process to sample higher quality data with fewer diffusion steps. Technically, we train FHDM by maximum likelihood estimation on diffusion trajectories augmented from observed data with conditional first hitting processes (i.e., bridge) derived based on Doob's $h$-transform, deviating from the commonly used time-reversal mechanism. We apply FHDM to generate data in various domains such as point cloud (general continuous distribution), climate and geographical events on earth (continuous distribution on the sphere), unweighted graphs (distribution of binary matrices), and segmentation maps of 2D images (high-dimensional categorical distribution). We observe considerable improvement compared with the state-of-the-art approaches in both quality and speed.

Learning the distribution of a continuous or categorical response variable $\boldsymbol y$ given its covariates $\boldsymbol x$ is a fundamental problem in statistics and machine learning. Deep neural network-based supervised learning algorithms have made great progress in predicting the mean of $\boldsymbol y$ given $\boldsymbol x$, but they are often criticized for their ability to accurately capture the uncertainty of their predictions. In this paper, we introduce classification and regression diffusion (CARD) models, which combine a denoising diffusion-based conditional generative model and a pre-trained conditional mean estimator, to accurately predict the distribution of $\boldsymbol y$ given $\boldsymbol x$. We demonstrate the outstanding ability of CARD in conditional distribution prediction with both toy examples and real-world datasets, the experimental results on which show that CARD in general outperforms state-of-the-art methods, including Bayesian neural network-based ones that are designed for uncertainty estimation, especially when the conditional distribution of $\boldsymbol y$ given $\boldsymbol x$ is multi-modal. In addition, we utilize the stochastic nature of the generative model outputs to obtain a finer granularity in model confidence assessment at the instance level for classification tasks.

Conformalized quantile regression is a procedure that inherits the advantages of conformal prediction and quantile regression. That is, we use quantile regression to estimate the true conditional quantile and then apply a conformal step on a calibration set to ensure marginal coverage. In this way, we get adaptive prediction intervals that account for heteroscedasticity. However, the aforementioned conformal step lacks adaptiveness as described in (Romano et al., 2019). To overcome this limitation, instead of applying a single conformal step after estimating conditional quantiles with quantile regression, we propose to cluster the explanatory variables weighted by their permutation importance with an optimized k-means and apply k conformal steps. To show that this improved version outperforms the classic version of conformalized quantile regression and is more adaptive to heteroscedasticity, we extensively compare the prediction intervals of both in open datasets.

Sentence summarization aims at compressing a long sentence into a short one that keeps the main gist, and has extensive real-world applications such as headline generation. In previous work, researchers have developed various approaches to improve the ROUGE score, which is the main evaluation metric for summarization, whereas controlling the summary length has not drawn much attention. In our work, we address a new problem of explicit character-level length control for summarization, and propose a dynamic programming algorithm based on the Connectionist Temporal Classification (CTC) model. Results show that our approach not only achieves higher ROUGE scores but also yields more complete sentences.

Online optimization is a well-established optimization paradigm that aims to make a sequence of correct decisions given knowledge of the correct answer to previous decision tasks. Bilevel programming involves a hierarchical optimization problem where the feasible region of the so-called outer problem is restricted by the graph of the solution set mapping of the inner problem. This paper brings these two ideas together and studies an online bilevel optimization setting in which a sequence of time-varying bilevel problems are revealed one after the other. We extend the known regret bounds for single-level online algorithms to the bilevel setting. Specifically, we introduce new notions of bilevel regret, develop an online alternating time-averaged gradient method that is capable of leveraging smoothness, and provide regret bounds in terms of the path-length of the inner and outer minimizer sequences.

Prior work on differential privacy analysis of randomized SGD algorithms relies on composition theorems, where the implicit (unrealistic) assumption is that the internal state of the iterative algorithm is revealed to the adversary. As a result, the R\'enyi DP bounds derived by such composition-based analyses linearly grow with the number of training epochs. When the internal state of the algorithm is hidden, we prove a converging privacy bound for noisy stochastic gradient descent (on strongly convex smooth loss functions). We show how to take advantage of privacy amplification by sub-sampling and randomized post-processing, and prove the dynamics of privacy bound for "shuffle and partition" and "sample without replacement" stochastic mini-batch gradient descent schemes. We prove that, in these settings, our privacy bound converges exponentially fast and is substantially smaller than the composition bounds, notably after a few number of training epochs. Thus, unless the DP algorithm converges fast, our privacy analysis shows that hidden state analysis can significantly amplify differential privacy.

In this paper we introduce a new consistency-based approach for defining and solving nonnegative/positive matrix and tensor completion problems. The novelty of the framework is that instead of artificially making the problem well-posed in the form of an application-arbitrary optimization problem, e.g., minimizing a bulk structural measure such as rank or norm, we show that a single property/constraint -- preserving unit-scale consistency -- guarantees both existence of a solution and, under relatively weak support assumptions, uniqueness. The framework and solution algorithms also generalize directly to tensors of arbitrary dimension while maintaining computational complexity that is linear in problem size for fixed dimension d. In the context of recommender system (RS) applications, we prove that two reasonable properties that should be expected to hold for any solution to the RS problem are sufficient to permit uniqueness guarantees to be established within our framework. This is remarkable because it obviates the need for heuristic-based statistical or AI methods despite what appear to be distinctly human/subjective variables at the heart of the problem. Key theoretical contributions include a general unit-consistent tensor-completion framework with proofs of its properties, e.g., consensus-order and fairness, and algorithms with optimal runtime and space complexities, e.g., O(1) term-completion with preprocessing complexity that is linear in the number of known terms of the matrix/tensor. From a practical perspective, the seamless ability of the framework to generalize to exploit high-dimensional structural relationships among key state variables, e.g., user and product attributes, offers a means for extracting significantly more information than is possible for alternative methods that cannot generalize beyond direct user-product relationships.

In model-based reinforcement learning, the transition matrix and reward vector are often estimated from random samples subject to noise. Even if the estimated model is an unbiased estimate of the true underlying model, the value function computed from the estimated model is biased. We introduce an operator shifting method for reducing the error introduced by the estimated model. When the error is in the residual norm, we prove that the shifting factor is always positive and upper bounded by $1+O\left(1/n\right)$, where $n$ is the number of samples used in learning each row of the transition matrix. We also propose a practical numerical algorithm for implementing the operator shifting.

Overparameterized models with millions of parameters have been hugely successful. In this work, we ask: can the need for large models be, at least in part, due to the \emph{computational} limitations of the learner? Additionally, we ask, is this situation exacerbated for \emph{robust} learning? We show that this indeed could be the case. We show learning tasks for which computationally bounded learners need \emph{significantly more} model parameters than what information-theoretic learners need. Furthermore, we show that even more model parameters could be necessary for robust learning. In particular, for computationally bounded learners, we extend the recent result of Bubeck and Sellke [NeurIPS'2021] which shows that robust models might need more parameters, to the computational regime and show that bounded learners could provably need an even larger number of parameters. Then, we address the following related question: can we hope to remedy the situation for robust computationally bounded learning by restricting \emph{adversaries} to also be computationally bounded for sake of obtaining models with fewer parameters? Here again, we show that this could be possible. Specifically, building on the work of Garg, Jha, Mahloujifar, and Mahmoody [ALT'2020], we demonstrate a learning task that can be learned efficiently and robustly against a computationally bounded attacker, while to be robust against an information-theoretic attacker requires the learner to utilize significantly more parameters.

There is mounting empirical evidence of emergent phenomena in the capabilities of deep learning methods as we scale up datasets, model sizes, and training times. While there are some accounts of how these resources modulate statistical capacity, far less is known about their effect on the computational problem of model training. This work conducts such an exploration through the lens of learning $k$-sparse parities of $n$ bits, a canonical family of problems which pose theoretical computational barriers. In this setting, we find that neural networks exhibit surprising phase transitions when scaling up dataset size and running time. In particular, we demonstrate empirically that with standard training, a variety of architectures learn sparse parities with $n^{O(k)}$ examples, with loss (and error) curves abruptly dropping after $n^{O(k)}$ iterations. These positive results nearly match known SQ lower bounds, even without an explicit sparsity-promoting prior. We elucidate the mechanisms of these phenomena with a theoretical analysis: we find that the phase transition in performance is not due to SGD "stumbling in the dark" until it finds the hidden set of features (a natural algorithm which also runs in $n^{O(k)}$ time); instead, we show that SGD gradually amplifies a Fourier gap in the population gradient.

We propose the task Future Object Detection, in which the goal is to predict the bounding boxes for all visible objects in a future video frame. While this task involves recognizing temporal and kinematic patterns, in addition to the semantic and geometric ones, it only requires annotations in the standard form for individual, single (future) frames, in contrast to expensive full sequence annotations. We propose to tackle this task with an end-to-end method, in which a detection transformer is trained to directly output the future objects. In order to make accurate predictions about the future, it is necessary to capture the dynamics in the scene, both object motion and the movement of the ego-camera. To this end, we extend existing detection transformers in two ways. First, we experiment with three different mechanisms that enable the network to spatiotemporally process multiple frames. Second, we provide ego-motion information to the model in a learnable manner. We show that both of these extensions improve the future object detection performance substantially. Our final approach learns to capture the dynamics and makes predictions on par with an oracle for prediction horizons up to 100 ms, and outperforms all baselines for longer prediction horizons. By visualizing the attention maps, we observe that a form of tracking emerges within the network. Code is available at github.com/atonderski/future-object-detection.

Recent work on self-supervised pre-training focus on leveraging large-scale unlabeled speech data to build robust end-to-end (E2E) acoustic models (AM) that can be later fine-tuned on downstream tasks e.g., automatic speech recognition (ASR). Yet, few works investigated the impact on performance when the data properties substantially differ between the pre-training and fine-tuning phases, termed domain shift. We target this scenario by analyzing the robustness of Wav2Vec 2.0 and XLS-R models on downstream ASR for a completely unseen domain, air traffic control (ATC) communications. We benchmark these two models on several open-source and challenging ATC databases with signal-to-noise ratio between 5 and 20 dB. Relative word error rate (WER) reductions between 20% to 40% are obtained in comparison to hybrid-based ASR baselines by only fine-tuning E2E acoustic models with a smaller fraction of labeled data. We analyze WERs on the low-resource scenario and gender bias carried by one ATC dataset.

Causal discovery and causal reasoning are classically treated as separate and consecutive tasks: one first infers the causal graph, and then uses it to estimate causal effects of interventions. However, such a two-stage approach is uneconomical, especially in terms of actively collected interventional data, since the causal query of interest may not require a fully-specified causal model. From a Bayesian perspective, it is also unnatural, since a causal query (e.g., the causal graph or some causal effect) can be viewed as a latent quantity subject to posterior inference -- other unobserved quantities that are not of direct interest (e.g., the full causal model) ought to be marginalized out in this process and contribute to our epistemic uncertainty. In this work, we propose Active Bayesian Causal Inference (ABCI), a fully-Bayesian active learning framework for integrated causal discovery and reasoning, which jointly infers a posterior over causal models and queries of interest. In our approach to ABCI, we focus on the class of causally-sufficient, nonlinear additive noise models, which we model using Gaussian processes. We sequentially design experiments that are maximally informative about our target causal query, collect the corresponding interventional data, and update our beliefs to choose the next experiment. Through simulations, we demonstrate that our approach is more data-efficient than several baselines that only focus on learning the full causal graph. This allows us to accurately learn downstream causal queries from fewer samples while providing well-calibrated uncertainty estimates for the quantities of interest.

Surgical resections are the most prevalent curative treatment for primary liver cancer. Tumors located in critical positions are known to complexify liver resections (LR). While experienced surgeons in specialized medical centers may have the necessary expertise to accurately anticipate LR complexity, and prepare accordingly, an objective method able to reproduce this behavior would have the potential to improve the standard routine of care, and avoid intra- and postoperative complications. In this article, we propose CoRe, an automated medical image processing pipeline for the prediction of postoperative LR complexity from preoperative CT scans, using imaging biomarkers. The CoRe pipeline first segments the liver, lesions, and vessels with two deep learning networks. The liver vasculature is then pruned based on a topological criterion to define the hepatic central zone (HCZ), a convex volume circumscribing the major liver vessels, from which a new imaging biomarker, BHCZ is derived. Additional biomarkers are extracted and leveraged to train and evaluate a LR complexity prediction model. An ablation study shows the HCZ-based biomarker as the central feature in predicting LR complexity. The best predictive model reaches an accuracy, F1, and AUC of 77.3, 75.4, and 84.1% respectively.

We propose a data-driven mean-curvature solver for the level-set method. This work is the natural extension to $\mathbb{R}^3$ of our two-dimensional strategy in [arXiv:2201.12342][1] and the hybrid inference system of [DOI: 10.1016/j.jcp.2022.111291][2]. However, in contrast to [1,2], which built resolution-dependent neural-network dictionaries, here we develop a pair of models in $\mathbb{R}^3$, regardless of the mesh size. Our feedforward networks ingest transformed level-set, gradient, and curvature data to fix numerical mean-curvature approximations selectively for interface nodes. To reduce the problem's complexity, we have used the Gaussian curvature to classify stencils and fit our models separately to non-saddle and saddle patterns. Non-saddle stencils are easier to handle because they exhibit a curvature error distribution characterized by monotonicity and symmetry. While the latter has allowed us to train only on half the mean-curvature spectrum, the former has helped us blend the data-driven and the baseline estimations seamlessly near flat regions. On the other hand, the saddle-pattern error structure is less clear; thus, we have exploited no latent information beyond what is known. In this regard, we have trained our models on not only spherical but also sinusoidal and hyperbolic paraboloidal patches. Our approach to building their data sets is systematic but gleans samples randomly while ensuring well-balancedness. We have also resorted to standardization and dimensionality reduction as a preprocessing step and integrated regularization to minimize outliers. In addition, we leverage curvature rotation/reflection invariance to improve precision at inference time. Several experiments confirm that our proposed system can yield more accurate mean-curvature estimations than modern particle-based interface reconstruction and level-set schemes around under-resolved regions.

Neural Machine Translation systems built on top of Transformer-based architectures are routinely improving the state-of-the-art in translation quality according to word-overlap metrics. However, a growing number of studies also highlight the inherent gender bias that these models incorporate during training, which reflects poorly in their translations. In this work, we investigate whether these models can be instructed to fix their bias during inference using targeted, guided instructions as contexts. By translating relevant contextual sentences during inference along with the input, we observe large improvements in reducing the gender bias in translations, across three popular test suites (WinoMT, BUG, SimpleGen). We further propose a novel metric to assess several large pre-trained models (OPUS-MT, M2M-100) on their sensitivity towards using contexts during translation to correct their biases. Our approach requires no fine-tuning and thus can be used easily in production systems to de-bias translations from stereotypical gender-occupation bias 1. We hope our method, along with our metric, can be used to build better, bias-free translation systems.

The most popular design paradigm for Graph Neural Networks (GNNs) is 1-hop message passing -- aggregating information from 1-hop neighbors repeatedly. However, the expressive power of 1-hop message passing is bounded by the Weisfeiler-Lehman (1-WL) test. Recently, researchers extended 1-hop message passing to K-hop message passing by aggregating information from K-hop neighbors of nodes simultaneously. However, there is no work on analyzing the expressive power of K-hop message passing. In this work, we theoretically characterize the expressive power of K-hop message passing. Specifically, we first formally differentiate two different kernels of K-hop message passing which are often misused in previous works. We then characterize the expressive power of K-hop message passing by showing that it is more powerful than 1-WL and can distinguish almost all regular graphs. Despite the higher expressive power, we show that K-hop message passing still cannot distinguish some simple regular graphs and its expressive power is bounded by 3-WL. To further enhance its expressive power, we introduce a KP-GNN framework, which improves K-hop message passing by leveraging the peripheral subgraph information in each hop. We show that KP-GNN can distinguish many distance regular graphs which could not be distinguished by previous distance encoding or 3-WL methods. Experimental results verify the expressive power and effectiveness of KP-GNN. KP-GNN achieves competitive results across all benchmark datasets.

Negative-free contrastive learning methods have attracted a lot of attention with simplicity and impressive performances for large-scale pretraining. However, its disentanglement property remains unexplored. In this paper, we examine negative-free contrastive learning methods to study the disentanglement property empirically. We find that existing disentanglement metrics fail to make meaningful measurements for high-dimensional representation models, so we propose a new disentanglement metric based on Mutual Information between latent representations and data factors. With this proposed metric, we benchmark the disentanglement property of negative-free contrastive learning on both popular synthetic datasets and a real-world dataset CelebA. Our study shows that the investigated methods can learn a well-disentangled subset of representation. As far as we know, we are the first to extend the study of disentangled representation learning to high-dimensional representation space and introduce negative-free contrastive learning methods into this area. The source code of this paper is available at \url{https://github.com/noahcao/disentanglement_lib_med}.

Recently, research has increasingly focused on developing efficient neural network architectures. In this work, we explore logic gate networks for machine learning tasks by learning combinations of logic gates. These networks comprise logic gates such as "AND" and "XOR", which allow for very fast execution. The difficulty in learning logic gate networks is that they are conventionally non-differentiable and therefore do not allow training with gradient descent. Thus, to allow for effective training, we propose differentiable logic gate networks, an architecture that combines real-valued logics and a continuously parameterized relaxation of the network. The resulting discretized logic gate networks achieve fast inference speeds, e.g., beyond a million images of MNIST per second on a single CPU core.

Equivariant Graph neural Networks (EGNs) are powerful in characterizing the dynamics of multi-body physical systems. Existing EGNs conduct flat message passing, which, yet, is unable to capture the spatial/dynamical hierarchy for complex systems particularly, limiting substructure discovery and global information fusion. In this paper, we propose Equivariant Hierarchy-based Graph Networks (EGHNs) which consist of the three key components: generalized Equivariant Matrix Message Passing (EMMP) , E-Pool and E-UpPool. In particular, EMMP is able to improve the expressivity of conventional equivariant message passing, E-Pool assigns the quantities of the low-level nodes into high-level clusters, while E-UpPool leverages the high-level information to update the dynamics of the low-level nodes. As their names imply, both E-Pool and E-UpPool are guaranteed to be equivariant to meet physic symmetry. Considerable experimental evaluations verify the effectiveness of our EGHN on several applications including multi-object dynamics simulation, motion capture, and protein dynamics modeling.

Despite extensive theoretical work on biologically plausible learning rules, clear evidence about whether and how such rules are implemented in the brain has been difficult to obtain. We consider biologically plausible supervised- and reinforcement-learning rules and ask whether changes in network activity during learning can be used to determine which learning rule is being used. Supervised learning requires a credit-assignment model estimating the mapping from neural activity to behavior, and, in a biological organism, this model will inevitably be an imperfect approximation of the ideal mapping, leading to a bias in the direction of the weight updates relative to the true gradient. Reinforcement learning, on the other hand, requires no credit-assignment model and tends to make weight updates following the true gradient direction. We derive a metric to distinguish between learning rules by observing changes in the network activity during learning, given that the mapping from brain to behavior is known by the experimenter. Because brain-machine interface (BMI) experiments allow for precise knowledge of this mapping, we model a cursor-control BMI task using recurrent neural networks, showing that learning rules can be distinguished in simulated experiments using only observations that a neuroscience experimenter would plausibly have access to.

Keeping risk under control is often more crucial than maximizing expected reward in real-world decision-making situations, such as finance, robotics, autonomous driving, etc. The most natural choice of risk measures is variance, while it penalizes the upside volatility as much as the downside part. Instead, the (downside) semivariance, which captures negative deviation of a random variable under its mean, is more suitable for risk-averse proposes. This paper aims at optimizing the mean-semivariance (MSV) criterion in reinforcement learning w.r.t. steady reward distribution. Since semivariance is time-inconsistent and does not satisfy the standard Bellman equation, the traditional dynamic programming methods are inapplicable to MSV problems directly. To tackle this challenge, we resort to Perturbation Analysis (PA) theory and establish the performance difference formula for MSV. We reveal that the MSV problem can be solved by iteratively solving a sequence of RL problems with a policy-dependent reward function. Further, we propose two on-policy algorithms based on the policy gradient theory and the trust region method. Finally, we conduct diverse experiments from simple bandit problems to continuous control tasks in MuJoCo, which demonstrate the effectiveness of our proposed methods.

Federated learning (FL) provides an effective collaborative training paradigm, allowing local agents to train a global model jointly without sharing their local data to protect privacy. However, due to the heterogeneous nature of local data, it is challenging to optimize or even define the fairness of the trained global model for the agents. For instance, existing work usually considers accuracy equity as fairness for different agents in FL, which is limited, especially under the heterogeneous setting, since it is intuitively "unfair" to enforce agents with high-quality data to achieve similar accuracy to those who contribute low-quality data. In this work, we aim to address such limitations and propose a formal fairness definition in FL, fairness via agent-awareness (FAA), which takes different contributions of heterogeneous agents into account. Under FAA, the performance of agents with high-quality data will not be sacrificed just due to the existence of large amounts of agents with low-quality data. In addition, we propose a fair FL training algorithm based on agent clustering (FOCUS) to achieve fairness in FL measured by FAA. Theoretically, we prove the convergence and optimality of FOCUS under mild conditions for linear and general convex loss functions with bounded smoothness. We also prove that FOCUS always achieves higher fairness in terms of FAA compared with standard FedAvg under both linear and general convex loss functions. Empirically, we evaluate FOCUS on four datasets, including synthetic data, images, and texts under different settings, and we show that FOCUS achieves significantly higher fairness in terms of FAA while maintaining similar or even higher prediction accuracy compared with FedAvg and other existing fair FL algorithms.

Many of the recent advances in the field of artificial intelligence have been fueled by the highly successful backpropagation of error (BP) algorithm, which efficiently solves the credit assignment problem in artificial neural networks. However, it is unlikely that BP is implemented in its usual form within biological neural networks, because of its reliance on non-local information in propagating error gradients. Since biological neural networks are capable of highly efficient learning and responses from BP trained models can be related to neural responses, it seems reasonable that a biologically viable approximation of BP underlies synaptic plasticity in the brain. Gradient Adjusted Incremental Target Propagation (GAIT-prop) has recently been derived directly from BP and has been shown to successfully train networks in a more biologically plausible manner. However, so far, GAIT-prop has only been shown to work on relatively low-dimensional problems, such as handwritten-digit recognition. This work addresses some of the scaling issues in GAIT-prop and shows it to achieve performance comparable to BP on the much more challenging CIFAR10 and ImageNet datasets.

Inspired by the concept of preconditioning, we propose a novel method to increase adaptation speed for gradient-based meta-learning methods without incurring extra parameters. We demonstrate that recasting the optimization problem to a non-linear least-squares formulation provides a principled way to actively enforce a $\textit{well-conditioned}$ parameter space for meta-learning models based on the concepts of the condition number and local curvature. Our comprehensive evaluations show that the proposed method significantly outperforms its unconstrained counterpart especially during initial adaptation steps, while achieving comparable or better overall results on several few-shot classification tasks -- creating the possibility of dynamically choosing the number of adaptation steps at inference time.

In this work we develop a new method, named Sub-graph Permutation Equivariant Networks (SPEN), which provides a framework for building graph neural networks that operate on sub-graphs, while using a base update function that is permutation equivariant, that are equivariant to a novel choice of automorphism group. Message passing neural networks have been shown to be limited in their expressive power and recent approaches to over come this either lack scalability or require structural information to be encoded into the feature space. The general framework presented here overcomes the scalability issues associated with global permutation equivariance by operating more locally on sub-graphs. In addition, through operating on sub-graphs the expressive power of higher-dimensional global permutation equivariant networks is improved; this is due to fact that two non-distinguishable graphs often contain distinguishable sub-graphs. Furthermore, the proposed framework only requires a choice of $k$-hops for creating ego-network sub-graphs and a choice of representation space to be used for each layer, which makes the method easily applicable across a range of graph based domains. We experimentally validate the method on a range of graph benchmark classification tasks, demonstrating statistically indistinguishable results from the state-of-the-art on six out of seven benchmarks. Further, we demonstrate that the use of local update functions offers a significant improvement in GPU memory over global methods.

Conformer, combining convolution and self-attention sequentially to capture both local and global information, has shown remarkable performance and is currently regarded as the state-of-the-art for automatic speech recognition (ASR). Several other studies have explored integrating convolution and self-attention but they have not managed to match Conformer's performance. The recently introduced Branchformer achieves comparable performance to Conformer by using dedicated branches of convolution and self-attention and merging local and global context from each branch. In this paper, we propose E-Branchformer, which enhances Branchformer by applying an effective merging method and stacking additional point-wise modules. E-Branchformer sets new state-of-the-art word error rates (WERs) 1.81% and 3.65% on LibriSpeech test-clean and test-other sets without using any external training data.

There is a recent proliferation of research on the integration of machine learning and optimization. One expansive area within this research stream is predictive-model embedded optimization, which proposes the use of pre-trained predictive models as surrogates for uncertain or highly complex objective functions. In this setting, features of the predictive models become decision variables in the optimization problem. Despite a recent surge in publications in this area, only a few papers note the importance of incorporating trust region considerations in this decision-making pipeline, i.e., enforcing solutions to be similar to the data used to train the predictive models. Without such constraints, the evaluation of the predictive model at solutions obtained from optimization cannot be trusted and the practicality of the solutions may be unreasonable. In this paper, we provide an overview of the approaches appearing in the literature to construct a trust region, and propose three alternative approaches. Our numerical evaluation highlights that trust-region constraints learned through isolation forests, one of the newly proposed approaches, outperform all previously suggested approaches, both in terms of solution quality and computational time.

While the application of differential privacy (DP) has been well-studied in cross-device federated learning (FL), there is a lack of work considering DP and its implications for cross-silo FL, a setting characterized by a limited number of clients each containing many data subjects. In cross-silo FL, usual notions of client-level DP are less suitable as real-world privacy regulations typically concern the in-silo data subjects rather than the silos themselves. In this work, we instead consider an alternative notion of silo-specific sample-level DP, where silos set their own privacy targets for their local examples. Under this setting, we reconsider the roles of personalization in federated learning. In particular, we show that mean-regularized multi-task learning (MR-MTL), a simple personalization framework, is a strong baseline for cross-silo FL: under stronger privacy requirements, silos are incentivized to federate more with each other to mitigate DP noise, resulting in consistent improvements relative to standard baseline methods. We provide an empirical study of competing methods as well as a theoretical characterization of MR-MTL for mean estimation, highlighting the interplay between privacy and cross-silo data heterogeneity. Our work serves to establish baselines for private cross-silo FL as well as identify key directions of future work in this area.

Constrained random test generation is one of the most widely adopted methods for generating stimuli for simulation-based verification. Randomness leads to test diversity, but tests tend to repeatedly exercise the same design logic. Constraints are written (typically manually) to bias random tests towards interesting, hard-to-reach, and yet-untested logic. However, as verification progresses, most constrained random tests yield little to no effect on functional coverage. If stimuli generation consumes significantly less resources than simulation, then a better approach involves randomly generating a large number of tests, selecting the most effective subset, and only simulating that subset. In this paper, we introduce a novel method for automatic constraint extraction and test selection. This method, which we call coverage-directed test selection, is based on supervised learning from coverage feedback. Our method biases selection towards tests that have a high probability of increasing functional coverage, and prioritises them for simulation. We show how coverage-directed test selection can reduce manual constraint writing, prioritise effective tests, reduce verification resource consumption, and accelerate coverage closure on a large, real-life industrial hardware design.

Random reshuffling, which randomly permutes the dataset each epoch, is widely adopted in model training because it yields faster convergence than with-replacement sampling. Recent studies indicate greedily chosen data orderings can further speed up convergence empirically, at the cost of using more computation and memory. However, greedy ordering lacks theoretical justification and has limited utility due to its non-trivial memory and computation overhead. In this paper, we first formulate an example-ordering framework named herding and answer affirmatively that SGD with herding converges at the rate $O(T^{-2/3})$ on smooth, non-convex objectives, faster than the $O(n^{1/3}T^{-2/3})$ obtained by random reshuffling, where $n$ denotes the number of data points and $T$ denotes the total number of iterations. To reduce the memory overhead, we leverage discrepancy minimization theory to propose an online Gradient Balancing algorithm (GraB) that enjoys the same rate as herding, while reducing the memory usage from $O(nd)$ to just $O(d)$ and computation from $O(n^2)$ to $O(n)$, where $d$ denotes the model dimension. We show empirically on applications including MNIST, CIFAR10, WikiText and GLUE that GraB can outperform random reshuffling in terms of both training and validation performance, and even outperform state-of-the-art greedy ordering while reducing memory usage over $100\times$.

Modern deep learning has achieved great success in various fields. However, it requires the labeling of huge amounts of data, which is expensive and labor-intensive. Active learning (AL), which identifies the most informative samples to be labeled, is becoming increasingly important to maximize the efficiency of the training process. The existing AL methods mostly use only a single final fixed model for acquiring the samples to be labeled. This strategy may not be good enough in that the structural uncertainty of a model for given training data is not considered to acquire the samples. In this study, we propose a novel acquisition criterion based on temporal self-ensemble generated by conventional stochastic gradient descent (SGD) optimization. These self-ensemble models are obtained by capturing the intermediate network weights obtained through SGD iterations. Our acquisition function relies on a consistency measure between the student and teacher models. The student models are given a fixed number of temporal self-ensemble models, and the teacher model is constructed by averaging the weights of the student models. Using the proposed acquisition criterion, we present an AL algorithm, namely student-teacher consistency-based AL (ST-CoNAL). Experiments conducted for image classification tasks on CIFAR-10, CIFAR-100, Caltech-256, and Tiny ImageNet datasets demonstrate that the proposed ST-CoNAL achieves significantly better performance than the existing acquisition methods. Furthermore, extensive experiments show the robustness and effectiveness of our methods.

We propose a new training algorithm, ScanMix, that explores semantic clustering and semi-supervised learning (SSL) to allow superior robustness to severe label noise and competitive robustness to non-severe label noise problems, in comparison to the state of the art (SOTA) methods. ScanMix is based on the expectation maximisation framework, where the E-step estimates the latent variable to cluster the training images based on their appearance and classification results, and the M-step optimises the SSL classification and learns effective feature representations via semantic clustering. We present a theoretical result that shows the correctness and convergence of ScanMix, and an empirical result that shows that ScanMix has SOTA results on CIFAR-10/-100 (with symmetric, asymmetric and semantic label noise), Red Mini-ImageNet (from the Controlled Noisy Web Labels), Clothing1M and WebVision. In all benchmarks with severe label noise, our results are competitive to the current SOTA.

The Regression Tree (RT) sorts the samples using a specific feature and finds the split point that produces the maximum variance reduction from a node to its children. Our key observation is that the best factor to use (in terms of MSE drop) is always the target itself, as this most clearly separates the target. Thus using the target as the splitting factor provides an upper bound on MSE drop (or lower bound on the residual children MSE). Based on this observation, we define the k-bit lepto-variance ${\lambda}k^2$ of a target variable (or equivalently the lepto-variance at a specific depth k) as the variance that cannot be removed by any regression tree of a depth equal to k. As the upper bound performance for any feature, we believe ${\lambda}k^2$ to be an interesting statistical concept related to the underlying structure of the sample as it quantifies the resolving power of the RT for the sample. The max variance that may be explained using RTs of depth up to k is called the sample k-bit macro-variance. At any depth, total sample variance is thus decomposed into lepto-variance ${\lambda}^2$ and macro-variance ${\mu}^2$. We demonstrate the concept, by performing 1- and 2-bit RT based lepto-structure analysis for daily IBM stock returns.

Discriminative Feature Feedback is a setting proposed by Dastupta et al. (2018), which provides a protocol for interactive learning based on feature explanations that are provided by a human teacher. The features distinguish between the labels of pairs of possibly similar instances. That work has shown that learning in this model can have considerable statistical and computational advantages over learning in standard label-based interactive learning models. In this work, we provide new robust interactive learning algorithms for the Discriminative Feature Feedback model, with mistake bounds that are significantly lower than those of previous robust algorithms for this setting. In the adversarial setting, we reduce the dependence on the number of protocol exceptions from quadratic to linear. In addition, we provide an algorithm for a slightly more restricted model, which obtains an even smaller mistake bound for large models with many exceptions. In the stochastic setting, we provide the first algorithm that converges to the exception rate with a polynomial sample complexity. Our algorithm and analysis for the stochastic setting involve a new construction that we call Feature Influence, which may be of wider applicability.

In this paper, we examine several methods of acquiring Czech data for automated fact-checking, which is a task commonly modeled as a classification of textual claim veracity w.r.t. a corpus of trusted ground truths. We attempt to collect sets of data in form of a factual claim, evidence within the ground truth corpus, and its veracity label (supported, refuted or not enough info). As a first attempt, we generate a Czech version of the large-scale FEVER dataset built on top of Wikipedia corpus. We take a hybrid approach of machine translation and document alignment; the approach and the tools we provide can be easily applied to other languages. We discuss its weaknesses and inaccuracies, propose a future approach for their cleaning and publish the 127k resulting translations, as well as a version of such dataset reliably applicable for the Natural Language Inference task - the CsFEVER-NLI. Furthermore, we collect a novel dataset of 3,097 claims, which is annotated using the corpus of 2.2M articles of Czech News Agency. We present its extended annotation methodology based on the FEVER approach, and, as the underlying corpus is kept a trade secret, we also publish a standalone version of the dataset for the task of Natural Language Inference we call CTKFactsNLI. We analyze both acquired datasets for spurious cues - annotation patterns leading to model overfitting. CTKFacts is further examined for inter-annotator agreement, thoroughly cleaned, and a typology of common annotator errors is extracted. Finally, we provide baseline models for all stages of the fact-checking pipeline and publish the NLI datasets, as well as our annotation platform and other experimental data.

User embeddings (vectorized representations of a user) are essential in recommendation systems. Numerous approaches have been proposed to construct a representation for the user in order to find similar items for retrieval tasks, and they have been proven effective in industrial recommendation systems as well. Recently people have discovered the power of using multiple embeddings to represent a user, with the hope that each embedding represents the user's interest in a certain topic. With multi-interest representation, it's important to model the user's preference over the different topics and how the preference change with time. However, existing approaches either fail to estimate the user's affinity to each interest or unreasonably assume every interest of every user fades with an equal rate with time, thus hurting the recall of candidate retrieval. In this paper, we propose the Multi-Interest Preference (MIP) model, an approach that not only produces multi-interest for users by using the user's sequential engagement more effectively but also automatically learns a set of weights to represent the preference over each embedding so that the candidates can be retrieved from each interest proportionally. Extensive experiments have been done on various industrial-scale datasets to demonstrate the effectiveness of our approach.

Multi-focus image fusion (MFIF) and super-resolution (SR) are the inverse problem of imaging model, purposes of MFIF and SR are obtaining all-in-focus and high-resolution 2D mapping of targets. Though various MFIF and SR methods have been designed; almost all the them deal with MFIF and SR separately. This paper unifies MFIF and SR problems in the physical perspective as the multi-focus image super resolution fusion (MFISRF), and we propose a novel unified dataset-free unsupervised framework named deep fusion prior (DFP) based-on deep image prior (DIP) to address such MFISRF with single model. Experiments have proved that our proposed DFP approaches or even outperforms those state-of-art MFIF and SR method combinations. To our best knowledge, our proposed work is a dataset-free unsupervised method to simultaneously implement the multi-focus fusion and super-resolution task for the first time. Additionally, DFP is a general framework, thus its networks and focus measurement tactics can be continuously updated to further improve the MFISRF performance. DFP codes are open source available at this http URL

The discovery of novel inhibitor molecules for emerging drug-target proteins is widely acknowledged as a challenging inverse design problem: Exhaustive exploration of the vast chemical search space is impractical, especially when the target structure or active molecules are unknown. Here we validate experimentally the broad utility of a deep generative framework trained at-scale on protein sequences, small molecules, and their mutual interactions -- that is unbiased toward any specific target. As demonstrators, we consider two dissimilar and relevant SARS-CoV-2 targets: the main protease and the spike protein (receptor binding domain, RBD). To perform target-aware design of novel inhibitor molecules, a protein sequence-conditioned sampling on the generative foundation model is performed. Despite using only the target sequence information, and without performing any target-specific adaptation of the generative model, micromolar-level inhibition was observed in in vitro experiments for two candidates out of only four synthesized for each target. The most potent spike RBD inhibitor also exhibited activity against several variants in live virus neutralization assays. These results therefore establish that a single, broadly deployable generative foundation model for accelerated hit discovery is effective and efficient, even in the most general case where neither target structure nor binder information is available.

Multiple Instance Learning (MIL) has been widely applied in pathology towards solving critical problems such as automating cancer diagnosis and grading, predicting patient prognosis, and therapy response. Deploying these models in a clinical setting requires careful inspection of these black boxes during development and deployment to identify failures and maintain physician trust. In this work, we propose a simple formulation of MIL models, which enables interpretability while maintaining similar predictive performance. Our Additive MIL models enable spatial credit assignment such that the contribution of each region in the image can be exactly computed and visualized. We show that our spatial credit assignment coincides with regions used by pathologists during diagnosis and improves upon classical attention heatmaps from attention MIL models. We show that any existing MIL model can be made additive with a simple change in function composition. We also show how these models can debug model failures, identify spurious features, and highlight class-wise regions of interest, enabling their use in high-stakes environments such as clinical decision-making.

Distributed deep learning is an effective way to reduce the training time of deep learning for large datasets as well as complex models. However, the limited scalability caused by network overheads makes it difficult to synchronize the parameters of all workers. To resolve this problem, gossip-based methods that demonstrates stable scalability regardless of the number of workers have been proposed. However, to use gossip-based methods in general cases, the validation accuracy for a large mini-batch needs to be verified. To verify this, we first empirically study the characteristics of gossip methods in a large mini-batch problem and observe that the gossip methods preserve higher validation accuracy than AllReduce-SGD(Stochastic Gradient Descent) when the number of batch sizes is increased and the number of workers is fixed. However, the delayed parameter propagation of the gossip-based models decreases validation accuracy in large node scales. To cope with this problem, we propose Crossover-SGD that alleviates the delay propagation of weight parameters via segment-wise communication and load balancing random network topology. We also adapt hierarchical communication to limit the number of workers in gossip-based communication methods. To validate the effectiveness of our proposed method, we conduct empirical experiments and observe that our Crossover-SGD shows higher node scalability than SGP(Stochastic Gradient Push).

To contain the spread of the virus and stop the overcrowding of hospitalized patients, the coronavirus pandemic crippled healthcare facilities, mandating lockdowns and promoting remote work. As a result, telehealth has become increasingly popular for offering low-risk care to patients. However, the difficulty of preventing the next potential waves of infection has increased by constant virus mutation into new forms and a general lack of test kits, particularly in developing nations. In this research, a unique cloud-based application for the early identification of individuals who may have COVID-19 infection is proposed. The application provides five modes of diagnosis from possible symptoms (f1), cough sound (f2), specific blood biomarkers (f3), Raman spectral data of blood specimens (f4), and ECG signal paper-based image (f5). When a user selects an option and enters the information, the data is sent to the cloud server. The deployed machine learning (ML) and deep learning (DL) models classify the data in real time and inform the user of the likelihood of COVID-19 infection. Our deployed models can classify with an accuracy of 100%, 99.80%, 99.55%, 95.65%, and 77.59% from f3, f4, f5, f2, and f1 respectively. Moreover, the sensitivity for f2, f3, and f4 is 100%, which indicates the correct identification of COVID positive patients. This is significant in limiting the spread of the virus. Additionally, another ML model, as seen to offer 92% accuracy serves to identify patients who, out of a large group of patients admitted to the hospital cohort, need immediate critical care support by estimating the mortality risk of patients from blood parameters. The instantaneous multimodal nature of our technique offers multiplex and accurate diagnostic methods, highlighting the effectiveness of telehealth as a simple, widely available, and low-cost diagnostic solution, even for future pandemics.

The phenomenon that stochastic gradient descent (SGD) favors flat minima has played a critical role in understanding the implicit regularization of SGD. In this paper, we provide an explanation of this striking phenomenon by relating the particular noise structure of SGD to its \emph{linear stability} (Wu et al., 2018). Specifically, we consider training over-parameterized models with square loss. We prove that if a global minimum $\theta^*$ is linearly stable for SGD, then it must satisfy $\|H(\theta^*)\|_F\leq O(\sqrt{B}/\eta)$, where $\|H(\theta^*)\|_F, B,\eta$ denote the Frobenius norm of Hessian at $\theta^*$, batch size, and learning rate, respectively. Otherwise, SGD will escape from that minimum \emph{exponentially} fast. Hence, for minima accessible to SGD, the sharpness -- as measured by the Frobenius norm of the Hessian -- is bounded \emph{independently} of the model size and sample size. The key to obtaining these results is exploiting the particular structure of SGD noise: The noise concentrates in sharp directions of local landscape and the magnitude is proportional to loss value. This alignment property of SGD noise provably holds for linear networks and random feature models (RFMs), and is empirically verified for nonlinear networks. Moreover, the validity and practical relevance of our theoretical findings are also justified by extensive experiments on CIFAR-10 dataset.

In this paper, we investigate the performance of two first-order optimization algorithms, obtained from forward Euler discretization of finite-time optimization flows. These flows are the rescaled-gradient flow (RGF) and the signed-gradient flow (SGF), and consist of non-Lipscthiz or discontinuous dynamical systems that converge locally in finite time to the minima of gradient-dominated functions. We propose an Euler discretization for these first-order finite-time flows, and provide convergence guarantees, in the deterministic and the stochastic setting. We then apply the proposed algorithms to academic examples, as well as deep neural networks training, where we empirically test their performances on the SVHN dataset. Our results show that our schemes demonstrate faster convergences against standard optimization alternatives.

We theoretically analyze the model selection consistency of least absolute shrinkage and selection operator (Lasso) for high-dimensional Ising models. For random regular (RR) graphs of size $p$ with regular node degree $d$ and uniform couplings $\theta_0$, it is rigorously proved that Lasso without post-thresholding is model selection consistent in the whole paramagnetic phase with the same order of sample complexity $n=\Omega{(d^3\log{p})}$ as that of $\ell_1$-regularized logistic regression ($\ell_1$-LogR). This result is consistent with the conjecture in $\textit{Meng, Obuchi, and Kabashima 2021}$ using the non-rigorous replica method from statistical physics and thus complements it with a rigorous proof. For general tree-like graphs, it is demonstrated that the same result as RR graphs can be obtained under mild assumptions of the dependency condition and incoherence condition. Moreover, we provide a rigorous proof of the model selection consistency of Lasso with post-thresholding for general tree-like graphs in the paramagnetic phase without further assumptions on the dependency and incoherence conditions. Experimental results agree well with our theoretical analysis.

A longstanding goal of the field of AI is a method for learning a highly capable, generalist agent from diverse experience. In the subfields of vision and language, this was largely achieved by scaling up transformer-based models and training them on large, diverse datasets. Motivated by this progress, we investigate whether the same strategy can be used to produce generalist reinforcement learning agents. Specifically, we show that a single transformer-based model - with a single set of weights - trained purely offline can play a suite of up to 46 Atari games simultaneously at close-to-human performance. When trained and evaluated appropriately, we find that the same trends observed in language and vision hold, including scaling of performance with model size and rapid adaptation to new games via fine-tuning. We compare several approaches in this multi-game setting, such as online and offline RL methods and behavioral cloning, and find that our Multi-Game Decision Transformer models offer the best scalability and performance. We release the pre-trained models and code to encourage further research in this direction.

Graph contrastive learning (GCL) alleviates the heavy reliance on label information for graph representation learning (GRL) via self-supervised learning schemes. The core idea is to learn by maximising mutual information for similar instances, which requires similarity computation between two node instances. However, GCL is inefficient in both time and memory consumption. In addition, GCL normally requires a large number of training epochs to be well-trained on large-scale datasets. Inspired by an observation of a technical defect (i.e., inappropriate usage of Sigmoid function) commonly used in two representative GCL works, DGI and MVGRL, we revisit GCL and introduce a new learning paradigm for self-supervised graph representation learning, namely, Group Discrimination (GD), and propose a novel GD-based method called Graph Group Discrimination (GGD). Instead of similarity computation, GGD directly discriminates two groups of node samples with a very simple binary cross-entropy loss. In addition, GGD requires much fewer training epochs to obtain competitive performance compared with GCL methods on large-scale datasets. These two advantages endow GGD with very efficient property. Extensive experiments show that GGD outperforms state-of-the-art self-supervised methods on eight datasets. In particular, GGD can be trained in 0.18 seconds (6.44 seconds including data preprocessing) on ogbn-arxiv, which is orders of magnitude (10,000+) faster than GCL baselines while consuming much less memory. Trained with 9 hours on ogbn-papers100M with billion edges, GGD outperforms its GCL counterparts in both accuracy and efficiency.

We present POTATO, a task- and languageindependent framework for human-in-the-loop (HITL) learning of rule-based text classifiers using graph-based features. POTATO handles any type of directed graph and supports parsing text into Abstract Meaning Representations (AMR), Universal Dependencies (UD), and 4lang semantic graphs. A streamlit-based user interface allows users to build rule systems from graph patterns, provides real-time evaluation based on ground truth data, and suggests rules by ranking graph features using interpretable machine learning models. Users can also provide patterns over graphs using regular expressions, and POTATO can recommend refinements of such rules. POTATO is applied in projects across domains and languages, including classification tasks on German legal text and English social media data. All components of our system are written in Python, can be installed via pip, and are released under an MIT License on GitHub.

This paper proposes the TrafficFlowGAN, a physics-informed flow based generative adversarial network (GAN), for uncertainty quantification (UQ) of dynamical systems. TrafficFlowGAN adopts a normalizing flow model as the generator to explicitly estimate the data likelihood. This flow model is trained to maximize the data likelihood and to generate synthetic data that can fool a convolutional discriminator. We further regularize this training process using prior physics information, so-called physics-informed deep learning (PIDL). To the best of our knowledge, we are the first to propose an integration of flow, GAN and PIDL for the UQ problems. We take the traffic state estimation (TSE), which aims to estimate the traffic variables (e.g. traffic density and velocity) using partially observed data, as an example to demonstrate the performance of our proposed model. We conduct numerical experiments where the proposed model is applied to learn the solutions of stochastic differential equations. The results demonstrate the robustness and accuracy of the proposed model, together with the ability to learn a machine learning surrogate model. We also test it on a real-world dataset, the Next Generation SIMulation (NGSIM), to show that the proposed TrafficFlowGAN can outperform the baselines, including the pure flow model, the physics-informed flow model, and the flow based GAN model.

Working with any gradient-based machine learning algorithm involves the tedious task of tuning the optimizer's hyperparameters, such as its step size. Recent work has shown how the step size can itself be optimized alongside the model parameters by manually deriving expressions for "hypergradients" ahead of time. We show how to automatically compute hypergradients with a simple and elegant modification to backpropagation. This allows us to easily apply the method to other optimizers and hyperparameters (e.g. momentum coefficients). We can even recursively apply the method to its own hyper-hyperparameters, and so on ad infinitum. As these towers of optimizers grow taller, they become less sensitive to the initial choice of hyperparameters. We present experiments validating this for MLPs, CNNs, and RNNs. Finally, we provide a simple PyTorch implementation of this algorithm (see people.csail.mit.edu/kach/gradient-descent-the-ultimate-optimizer).

We demonstrate for the first time that ill-conditioned, non-smooth, constrained distributions in very high dimension, upwards of 100,000, can be sampled efficiently $\textit{in practice}$. Our algorithm incorporates constraints into the Riemannian version of Hamiltonian Monte Carlo and maintains sparsity. This allows us to achieve a mixing rate independent of smoothness and condition numbers. On benchmark data sets in systems biology and linear programming, our algorithm outperforms existing packages by orders of magnitude. In particular, we achieve a 1,000-fold speed-up for sampling from the largest published human metabolic network (RECON3D). Our package has been incorporated into the COBRA toolbox.

The performance of machine learning based network intrusion detection systems (NIDSs) severely degrades when deployed on a network with significantly different feature distributions from the ones of the training dataset. In various applications, such as computer vision, domain adaptation techniques have been successful in mitigating the gap between the distributions of the training and test data. In the case of network intrusion detection however, the state-of-the-art domain adaptation approaches have had limited success. According to recent studies, as well as our own results, the performance of an NIDS considerably deteriorates when the `unseen' test dataset does not follow the training dataset distribution. In some cases, swapping the train and test datasets makes this even more severe. In order to enhance the generalisibility of machine learning based network intrusion detection systems, we propose to extract domain invariant features using adversarial domain adaptation from multiple network domains, and then apply an unsupervised technique for recognising abnormalities, i.e., intrusions. More specifically, we train a domain adversarial neural network on labelled source domains, extract the domain invariant features, and train a One-Class SVM (OSVM) model to detect anomalies. At test time, we feedforward the unlabeled test data to the feature extractor network to project it into a domain invariant space, and then apply OSVM on the extracted features to achieve our final goal of detecting intrusions. Our extensive experiments on the NIDS benchmark datasets of NFv2-CIC-2018 and NFv2-UNSW-NB15 show that our proposed setup demonstrates superior cross-domain performance in comparison to the previous approaches.

We present a Reinforcement Learning (RL) based framework for optimizing long-term discounted reward problems with large combinatorial action space and state dependent constraints. These characteristics are common to many operations management problems, e.g., network inventory replenishment, where managers have to deal with uncertain demand, lost sales, and capacity constraints that results in more complex feasible action spaces. Our proposed Programmable Actor Reinforcement Learning (PARL) uses a deep-policy iteration method that leverages neural networks (NNs) to approximate the value function and combines it with mathematical programming (MP) and sample average approximation (SAA) to solve the per-step-action optimally while accounting for combinatorial action spaces and state-dependent constraint sets. We show how the proposed methodology can be applied to complex inventory replenishment problems where analytical solutions are intractable. We also benchmark the proposed algorithm against state-of-the-art RL algorithms and commonly used replenishment heuristics and find that the proposed algorithm considerably outperforms existing methods by as much as 14.7\% on average in various supply chain settings. This improvement in performance of PARL over benchmark algorithms can be attributed to better inventory cost management, especially in inventory constrained settings. Furthermore, in a simpler back order setting where the optimal solution is tractable, we find that the RL based policy also converges to the optimal policy. Finally, to make RL algorithms more accessible for inventory management researchers, we also discuss a modular Python library developed that can be used to test the performance of RL algorithms with various supply chain structures. This library can spur future research in developing practical and near-optimal algorithms for inventory management problems.

Knowledge Graph Embedding models have become an important area of machine learning.Those models provide a latent representation of entities and relations in a knowledge graph which can then be used in downstream machine learning tasks such as link prediction. The learning process of such models can be performed by contrasting positive and negative triples. While all triples of a KG are considered positive, negative triples are usually not readily available. Therefore, the choice of the sampling method to obtain the negative triples play a crucial role in the performance and effectiveness of Knowledge Graph Embedding models. Most of the current methods fetch negative samples from a random distribution of entities in the underlying Knowledge Graph which also often includes meaningless triples. Other known methods use adversarial techniques or generative neural networks which consequently reduce the efficiency of the process. In this paper, we propose an approach for generating informative negative samples considering available complementary knowledge about entities. Particularly, Pre-trained Language Models are used to form neighborhood clusters by utilizing the distances between entities to obtain representations of symbolic entities via their textual information. Our comprehensive evaluations demonstrate the effectiveness of the proposed approach on benchmark Knowledge Graphs with textual information for the link prediction task.

Automated machine learning (AutoML) strives for the automatic configuration of machine learning algorithms and their composition into an overall (software) solution - a machine learning pipeline - tailored to the learning task (dataset) at hand. Over the last decade, AutoML has developed into an independent research field with hundreds of contributions. At the same time, AutoML is being criticised for its high resource consumption as many approaches rely on the (costly) evaluation of many machine learning pipelines, as well as the expensive large scale experiments across many datasets and approaches. In the spirit of recent work on Green AI, this paper proposes Green AutoML, a paradigm to make the whole AutoML process more environmentally friendly. Therefore, we first elaborate on how to quantify the environmental footprint of an AutoML tool. Afterward, different strategies on how to design and benchmark an AutoML tool wrt. their "greenness", i.e. sustainability, are summarized. Finally, we elaborate on how to be transparent about the environmental footprint and what kind of research incentives could direct the community into a more sustainable AutoML research direction. Additionally, we propose a sustainability checklist to be attached to every AutoML paper featuring all core aspects of Green AutoML.

Robustness to adversarial attacks was shown to require a larger model capacity, and thus a larger memory footprint. In this paper, we introduce an approach to obtain robust yet compact models by pruning randomly-initialized binary networks. Unlike adversarial training, which learns the model parameters, we initialize the model parameters as either +1 or -1, keep them fixed, and find a subnetwork structure that is robust to attacks. Our method confirms the Strong Lottery Ticket Hypothesis in the presence of adversarial attacks, and extends this to binary networks. Furthermore, it yields more compact networks with competitive performance than existing works by 1) adaptively pruning different network layers; 2) exploiting an effective binary initialization scheme; 3) incorporating a last batch normalization layer to improve training stability. Our experiments demonstrate that our approach not only always outperforms the state-of-the-art robust binary networks, but also can achieve accuracy better than full-precision ones on some datasets. Finally, we show the structured patterns of our pruned binary networks.

We leverage representation learning and the inductive bias in neural-net-based Standard Model jet classification tasks, to detect non-QCD signal jets. In establishing the framework for classification-based anomaly detection in jet physics, we demonstrate that, with a \emph{well-calibrated} and \emph{powerful enough feature extractor}, a well-trained \emph{mass-decorrelated} supervised Standard Model neural jet classifier can serve as a strong generic anti-QCD jet tagger for effectively reducing the QCD background. Imposing \emph{data-augmented} mass-invariance (and thus decoupling the dominant factor) not only facilitates background estimation, but also induces more substructure-aware representation learning. We are able to reach excellent tagging efficiencies for all the test signals considered. In the best case, we reach a background rejection rate of 51 and a significance improvement factor of 3.6 at 50 \% signal acceptance, with the jet mass decorrelated. This study indicates that supervised Standard Model jet classifiers have great potential in general new physics searches.

The goal of tensor completion is to recover a tensor from a subset of its entries, often by exploiting its low-rank property. Among several useful definitions of tensor rank, the low-tubal-rank was shown to give a valuable characterization of the inherent low-rank structure of a tensor. While some low-tubal-rank tensor completion algorithms with favorable performance have been recently proposed, these algorithms utilize second-order statistics to measure the error residual, which may not work well when the observed entries contain large outliers. In this paper, we propose a new objective function for low-tubal-rank tensor completion, which uses correntropy as the error measure to mitigate the effect of the outliers. To efficiently optimize the proposed objective, we leverage a half-quadratic minimization technique whereby the optimization is transformed to a weighted low-tubal-rank tensor factorization problem. Subsequently, we propose two simple and efficient algorithms to obtain the solution and provide their convergence and complexity analysis. Numerical results using both synthetic and real data demonstrate the robust and superior performance of the proposed algorithms.

Modern quantum annealers can find high-quality solutions to combinatorial optimisation objectives given as quadratic unconstrained binary optimisation (QUBO) problems. Unfortunately, obtaining suitable QUBO forms in computer vision remains challenging and currently requires problem-specific analytical derivations. Moreover, such explicit formulations impose tangible constraints on solution encodings. In stark contrast to prior work, this paper proposes to learn QUBO forms from data through gradient backpropagation instead of deriving them. As a result, the solution encodings can be chosen flexibly and compactly. Furthermore, our methodology is general and virtually independent of the specifics of the target problem type. We demonstrate the advantages of learnt QUBOs on the diverse problem types of graph matching, 2D point cloud alignment and 3D rotation estimation. Our results are competitive with the previous quantum state of the art while requiring much fewer logical and physical qubits, enabling our method to scale to larger problems. The code and the new dataset will be open-sourced.

Efficient and quick remote communication in search and rescue operations can be life-saving for the first responders. However, while operating on the field means of communication based on text, image and audio are not suitable for several disaster scenarios. In this paper, we present a smartwatch-based application, which utilizes a Deep Learning (DL) model, to recognize a set of predefined arm gestures, maps them into Morse code via vibrations enabling remote communication amongst first responders. The model performance was evaluated by training it using 4,200 gestures performed by 7 subjects (cross-validation) wearing a smartwatch on their dominant arm. Our DL model relies on convolutional pooling and surpasses the performance of existing DL approaches and common machine learning classifiers, obtaining gesture recognition accuracy above 95%. We conclude by discussing the results and providing future directions.

Achieving sample efficiency in online episodic reinforcement learning (RL) requires optimally balancing exploration and exploitation. When it comes to a finite-horizon episodic Markov decision process with $S$ states, $A$ actions and horizon length $H$, substantial progress has been achieved towards characterizing the minimax-optimal regret, which scales on the order of $\sqrt{H^2SAT}$ (modulo log factors) with $T$ the total number of samples. While several competing solution paradigms have been proposed to minimize regret, they are either memory-inefficient, or fall short of optimality unless the sample size exceeds an enormous threshold (e.g., $S^6A^4 \,\mathrm{poly}(H)$ for existing model-free methods). To overcome such a large sample size barrier to efficient RL, we design a novel model-free algorithm, with space complexity $O(SAH)$, that achieves near-optimal regret as soon as the sample size exceeds the order of $SA\,\mathrm{poly}(H)$. In terms of this sample size requirement (also referred to the initial burn-in cost), our method improves -- by at least a factor of $S^5A^3$ -- upon any prior memory-efficient algorithm that is asymptotically regret-optimal. Leveraging the recently introduced variance reduction strategy (also called {\em reference-advantage decomposition}), the proposed algorithm employs an {\em early-settled} reference update rule, with the aid of two Q-learning sequences with upper and lower confidence bounds. The design principle of our early-settled variance reduction method might be of independent interest to other RL settings that involve intricate exploration-exploitation trade-offs.

We propose a general framework to design posterior sampling methods for model-based RL. We show that the proposed algorithms can be analyzed by reducing regret to Hellinger distance in conditional probability estimation. We further show that optimistic posterior sampling can control this Hellinger distance, when we measure model error via data likelihood. This technique allows us to design and analyze unified posterior sampling algorithms with state-of-the-art sample complexity guarantees for many model-based RL settings. We illustrate our general result in many special cases, demonstrating the versatility of our framework.

Monte Carlo (MC) integration is the de facto method for approximating the predictive distribution of Bayesian neural networks (BNNs). But, even with many MC samples, Gaussian-based BNNs could still yield bad predictive performance due to the posterior approximation's error. Meanwhile, alternatives to MC integration tend to be more expensive or biased. In this work, we experimentally show that the key to good MC-approximated predictive distributions is the quality of the approximate posterior itself. However, previous methods for obtaining accurate posterior approximations are expensive and non-trivial to implement. We, therefore, propose to refine Gaussian approximate posteriors with normalizing flows. When applied to last-layer BNNs, it yields a simple \emph{post hoc} method for improving pre-existing parametric approximations. We show that the resulting posterior approximation is competitive with even the gold-standard full-batch Hamiltonian Monte Carlo.

Machine learning-based modeling of physical systems has experienced increased interest in recent years. Despite some impressive progress, there is still a lack of benchmarks for Scientific ML that are easy to use but still challenging and representative of a wide range of problems. We introduce PDEBench, a benchmark suite of time-dependent simulation tasks based on Partial Differential Equations (PDEs). PDEBench comprises both code and data to benchmark the performance of novel machine learning models against both classical numerical simulations and machine learning baselines. Our proposed set of benchmark problems contribute the following unique features: (1) A much wider range of PDEs compared to existing benchmarks, ranging from relatively common examples to more realistic and difficult problems; (2) much larger ready-to-use datasets compared to prior work, comprising multiple simulation runs across a larger number of initial and boundary conditions and PDE parameters; (3) more extensible source codes with user-friendly APIs for data generation and baseline results with popular machine learning models (FNO, U-Net, PINN, Gradient-Based Inverse Method). PDEBench allows researchers to extend the benchmark freely for their own purposes using a standardized API and to compare the performance of new models to existing baseline methods. We also propose new evaluation metrics with the aim to provide a more holistic understanding of learning methods in the context of Scientific ML. With those metrics we identify tasks which are challenging for recent ML methods and propose these tasks as future challenges for the community. The code is available at https://github.com/pdebench/PDEBench.

We study a class of dynamical systems modelled as Markov chains that admit an invariant distribution via the corresponding transfer, or Koopman, operator. While data-driven algorithms to reconstruct such operators are well known, their relationship with statistical learning is largely unexplored. We formalize a framework to learn the Koopman operator from finite data trajectories of the dynamical system. We consider the restriction of this operator to a reproducing kernel Hilbert space and introduce a notion of risk, from which different estimators naturally arise. We link the risk with the estimation of the spectral decomposition of the Koopman operator. These observations motivate a reduced-rank operator regression (RRR) estimator. We derive learning bounds for the proposed estimator, holding both in i.i.d. and non i.i.d. settings, the latter in terms of mixing coefficients. Our results suggest RRR might be beneficial over other widely used estimators as confirmed in numerical experiments both for forecasting and mode decomposition.

Offline reinforcement learning (RL) methods can generally be categorized into two types: RL-based and Imitation-based. RL-based methods could in principle enjoy out-of-distribution generalization but suffer from erroneous off-policy evaluation. Imitation-based methods avoid off-policy evaluation but are too conservative to surpass the dataset. In this study, we propose an alternative approach, inheriting the training stability of imitation-style methods while still allowing logical out-of-distribution generalization. We decompose the conventional reward-maximizing policy in offline RL into a guide-policy and an execute-policy. During training, the guide-poicy and execute-policy are learned using only data from the dataset, in a supervised and decoupled manner. During evaluation, the guide-policy guides the execute-policy by telling where it should go so that the reward can be maximized, serving as the \textit{Prophet}. By doing so, our algorithm allows \textit{state-compositionality} from the dataset, rather than \textit{action-compositionality} conducted in prior imitation-style methods. We dumb this new approach Policy-guided Offline RL (\texttt{POR}). \texttt{POR} demonstrates the state-of-the-art performance on D4RL, a standard benchmark for offline RL. We also highlight the benefits of \texttt{POR} in terms of improving with supplementary suboptimal data and easily adapting to new tasks by only changing the guide-poicy.

This paper aims to show that the inference logic of a deep model can be faithfully approximated as a sparse, symbolic causal graph. Such a causal graph potentially bridges the gap between connectionism and symbolism. To this end, the faithfulness of the causal graph is theoretically guaranteed, because we show that the causal graph can well mimic the model's output on an exponential number of different masked samples. Besides, such a causal graph can be further simplified and re-written as an And-Or graph (AOG), which explains the logical relationship between interactive concepts encoded by the deep model, without losing much explanation accuracy.

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a threshold on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (Wilds, ImageNet, Breeds, CIFAR, and MNIST). In our experiments, ATC estimates target performance $2$-$4\times$ more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works. Code is available at https://github.com/saurabhgarg1996/ATC_code/.

We consider the estimation of average treatment effects in observational studies without the standard assumption of unconfoundedness. We propose a new framework of robust causal inference under the general observational study setting with the possible existence of unobserved confounders. Our approach is based on the method of distributionally robust optimization and proceeds in two steps. We first specify the maximal degree to which the distribution of unobserved potential outcomes may deviate from that of obsered outcomes. We then derive sharp bounds on the average treatment effects under this assumption. Our framework encompasses the popular marginal sensitivity model as a special case and can be extended to the difference-in-difference and regression discontinuity designs as well as instrumental variables. Through simulation and empirical studies, we demonstrate the applicability of the proposed methodology to real-world settings.

We propose MASTAF, a Model-Agnostic Spatio-Temporal Attention Fusion network for few-shot video classification. MASTAF takes input from a general video spatial and temporal representation,e.g., using 2D CNN, 3D CNN, and Video Transformer. Then, to make the most of such representations, we use self- and cross-attention models to highlight the critical spatio-temporal region to increase the inter-class variations and decrease the intra-class variations. Last, MASTAF applies a lightweight fusion network and a nearest neighbor classifier to classify each query video. We demonstrate that MASTAF improves the state-of-the-art performance on three few-shot video classification benchmarks(UCF101, HMDB51, and Something-Something-V2), e.g., by up to 91.6%, 69.5%, and 60.7% for five-way one-shot video classification, respectively.

This work finds the analytical expression of the global minima of a deep linear network with weight decay and stochastic neurons, a fundamental model for understanding the landscape of neural networks. Our result implies that zero is a special point in deep neural network architecture. We show that weight decay strongly interacts with the model architecture and can create bad minima at zero in a network with more than $1$ hidden layer, qualitatively different from a network with only $1$ hidden layer. Practically, our result implies that common deep learning initialization methods are insufficient to ease the optimization of neural networks in general.

This paper proposes a self-explainable Deep Learning (SE-DL) system for an image classification problem that performs self-error detection. The self-error detection is key to improving the DL system's safe operation, especially in safety-critical applications such as automotive systems. A SE-DL system outputs both the class prediction and an explanation for that prediction, which provides insight into how the system makes its predictions for humans. Additionally, we leverage the explanation of the proposed SE-DL system to detect potential class prediction errors of the system. The proposed SE-DL system uses a set of concepts to generate the explanation. The concepts are human-understandable lower-level image features in each input image relevant to the higher-level class of that image. We present a concept selection methodology for scoring all concepts and selecting a subset of them based on their contribution to the error detection performance of the proposed SE-DL system. Finally, we present different error detection schemes using the proposed SE-DL system to compare them against an error detection scheme without any SE-DL system.

Antibodies are canonically Y-shaped multimeric proteins capable of highly specific molecular recognition. The CDRH3 region located at the tip of variable chains of an antibody dominates antigen-binding specificity. Therefore, it is a priority to design optimal antigen-specific CDRH3 regions to develop therapeutic antibodies. However, the combinatorial nature of CDRH3 sequence space makes it impossible to search for an optimal binding sequence exhaustively and efficiently using computational approaches. Here, we present \texttt{AntBO}: a combinatorial Bayesian optimisation framework enabling efficient \textit{in silico} design of the CDRH3 region. Ideally, antibodies are expected to have high target specificity and developability. We introduce a CDRH3 trust region that restricts the search to sequences with favourable developability scores to achieve this goal. For benchmarking, \texttt{AntBO} uses the \texttt{Absolut!} software suite as a black-box oracle to score the target specificity and affinity of designed antibodies \textit{in silico} in an unconstrained fashion~\citep{robert2021one}. The experiments performed for $159$ discretised antigens used in \texttt{Absolut!} demonstrate the benefit of \texttt{AntBO} in designing CDRH3 regions with diverse biophysical properties. In under $200$ calls to black-box oracle, \texttt{AntBO} can suggest antibody sequences that outperform the best binding sequence drawn from 6.9 million experimentally obtained CDRH3s and a commonly used genetic algorithm baseline. Additionally, \texttt{AntBO} finds very-high affinity CDRH3 sequences in only 38 protein designs whilst requiring no domain knowledge. We conclude \texttt{AntBO} brings automated antibody design methods closer to what is practically viable for in vitro experimentation.

In deep reinforcement learning (RL), data augmentation is widely considered as a tool to induce a set of useful priors about semantic consistency and improve sample efficiency and generalization performance. However, even when the prior is useful for generalization, distilling it to RL agent often interferes with RL training and degenerates sample efficiency. Meanwhile, the agent is forgetful of the prior due to the non-stationary nature of RL. These observations suggest two extreme schedules of distillation: (i) over the entire training; or (ii) only at the end. Hence, we devise a stand-alone network distillation method to inject the consistency prior at any time (even after RL), and a simple yet efficient framework to automatically schedule the distillation. Specifically, the proposed framework first focuses on mastering train environments regardless of generalization by adaptively deciding which {\it or no} augmentation to be used for the training. After this, we add the distillation to extract the remaining benefits for generalization from all the augmentations, which requires no additional new samples. In our experiments, we demonstrate the utility of the proposed framework, in particular, that considers postponing the augmentation to the end of RL training.

Currently, the diagnosis of Alzheimer's disease is a complex and error-prone process. Improving this diagnosis could allow earlier detection of the disease and improve the quality of life of patients and their families. For this work, we will use 249 brain images from two modalities: PET and MRI, taken from the ADNI database, and labelled into three classes according to the degree of development of Alzheimer's disease. We propose the development of a convolutional neural network to perform the classification of these images, during which, we will study the appropriate depth of the networks for this problem, the importance of pre-processing medical images, the use of transfer learning and data augmentation techniques as tools to reduce the effects of the problem of having too little data, and the simultaneous use of multiple medical imaging modalities. We also propose the application of an evaluation method that guarantees a good degree of repeatability of the results even when using a small dataset. Following this evaluation method, our best final model, which makes use of transfer learning with COVID-19 data, achieves an accuracy d 68\%. In addition, in an independent test set, this same model achieves 70\% accuracy, a promising result given the small size of our dataset. We further conclude that augmenting the depth of the networks helps with this problem, that image pre-processing is a fundamental process to address this type of medical problem, and that the use of data augmentation and the use of pre-trained networks with images of other diseases can provide significant improvements.

We consider a resource-aware variant of the classical multi-armed bandit problem: In each round, the learner selects an arm and determines a resource limit. It then observes a corresponding (random) reward, provided the (random) amount of consumed resources remains below the limit. Otherwise, the observation is censored, i.e., no reward is obtained. For this problem setting, we introduce a measure of regret, which incorporates the actual amount of allocated resources of each learning round as well as the optimality of realizable rewards. Thus, to minimize regret, the learner needs to set a resource limit and choose an arm in such a way that the chance to realize a high reward within the predefined resource limit is high, while the resource limit itself should be kept as low as possible. We propose a UCB-inspired online learning algorithm, which we analyze theoretically in terms of its regret upper bound. In a simulation study, we show that our learning algorithm outperforms straightforward extensions of standard multi-armed bandit algorithms.

Pruning is an effective way to reduce the huge inference cost of Transformer models. However, prior work on pruning Transformers requires retraining the models. This can add high training cost and high complexity to model deployment, making it difficult to use in many practical situations. To address this, we propose a fast post-training pruning framework for Transformers that does not require any retraining. Given a resource constraint and a sample dataset, our framework automatically prunes the Transformer model using structured sparsity methods. To retain high accuracy without retraining, we introduce three novel techniques: (i) a lightweight mask search algorithm that finds which heads and filters to prune based on the Fisher information; (ii) mask rearrangement that complements the search algorithm; and (iii) mask tuning that reconstructs the output activations for each layer. We apply our method to BERT-base and DistilBERT, and we evaluate its effectiveness on GLUE and SQuAD benchmarks. Our framework achieves up to 2.0x reduction in FLOPs and 1.56x speedup in inference latency, while maintaining < 1% loss in accuracy. Importantly, our framework prunes Transformers in less than 3 minutes on a single GPU, which is over two orders of magnitude faster than existing pruning approaches that retrain the models.